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Proris

CAS: 15687-27-1 | C13H18O2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 15687-27-1
Molecular Formula: C13H18O2
Molecular Weight: 206.28499999999997 g/mol

Names and Synonyms:

Proris
Ibuprofen
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-
Buburone
Diverin
Ibosure
Artril
Syntofene
Stelar (pharmaceutical)
Proartinal
Emflam 200
Dibufen
Ifen
Brofen
Ipren
Brufen 400
Ostarin
Novogent
Codral Period Pain
Paxofen
Donjust B
Dorival
Tarein
Nobafon
Ibuprocin
Am-Fam 400
Tofen
Dolofen F
Upfen
Tatanal
Epobron
Easifon
Ebufac
Liptan
Nobgen
Bruflam
Zofen
Motrin IB
IB 100
Bluton
Quadrax
Antarene
Apsifen
Ibusal
Tabalon
Burana
Ibulgan
Opturem
Ibumetin
Relcofen
Uprofen
Gofen
Apo-Ibuprofen
Artofen
Butacortelone
Norton
Focus
Novoprofen
Dolomax
Profen
Dolgin
Artril 300
Femadon
Dolo-Dolgit
Recidol
Amibufen
Ibu-Attritin
Ibutad
Adran
Trendar
Butylenin
Dentigoa
Suspren
Seclodin
Gynofug
Dansida
Dolgirid
U 18753
Haltran
Pediaprofen
Ibuleve
NSC 256857
Buluofen
Actiprofen
Algiflex
Algi-Flanderil
Doretrim
Ibupril
Iprogel
Omafen
Deep relief
Nureflex
Pedea
Caldolor
Ibudex
Juilifen
Genafen
Medprofen
Buprol
Paucofen
Ibuflam
Espen
Multifen
Brustan-N
Ibuflamol
Boosten
IbuHexal
Pedifen
Ibuberofen
BC 1054
Spedifen Zambon
Actron Ibuprofen
Moment
MomentAct
Provil
Stelar
Cetafen Plus
2-[4-(2-Methylpropyl)phenyl]propanoic acid
Ibuprofen Belupo
Ibubel
Bonifen
Hydratropic acid, p-isobutyl-
α-Methyl-4-(2-methylpropyl)benzeneacetic acid
Ibuprofen
p-Isobutylhydratropic acid
2-(p-Isobutylphenyl)propionic acid
Brufen
RD 13621
Motrin
IP 82
4-Isobutylhydratropic acid
α-(4-Isobutylphenyl)propionic acid
2-(4-Isobutylphenyl)propanoic acid
Ibufen
Paduden
Nuprin
p-Isobutyl-2-phenylpropionic acid
Nurofen
Unipron
Rufin
Advil
2-(4′-Isobutylphenyl)propionic acid
Proflex
(±)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
(±)-Ibuprofen
(RS)-Ibuprofen
(±)-Ibuprophen
(±)-2-(p-Isobutylphenyl)propionic acid
dl-Ibuprofen
(4-Isobutylphenyl)-α-methylacetic acid
4-Isobutyl-α-methylphenylacetic acid
Dolgit
Librofem
Ranofen
Noritis
Bloom
Carol
Panafen
Lidifen
Fenspan
Provon
Pantrop
Ibu-Tab
Andran
Brufanic
Roidenin
Rupan
Mynosedin
Ibuprohm
Perofen
Atril 300
Ibren
Ibufug
Mensoton
Cobo
Rafen
Irfen
Tabalon 400
Brufort
Optifen
Dolofen
Fenbid
Anco
Anafen
Isodol
Ibu-slow
Ibugen
Emflam
Nobfelon
Napacetin
Ibuflamar
Act 3
Zafen
Anflagen
Adex 200
Brufen Retard
Balkaprofen
Drin
Ostofen
Betaprofen
Inflam
Urem
Nagifen-D
Inza
Inabrin
Ibugesic
Lamidon
Antiflam
Algofen
Dolocyl
Ibupirac
Alaxan
Prontalgin
Dolmaral
Lopane

Identifiers:

SMILES:
CC(C)Cc1ccc(C(C)C(=O)O)cc1
InChI:
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 206.28 g/mol Legacy Database
density 0.92 g/cm³ Legacy Database
cas-boiling-point 141-142 °C @ Press: 100 Torr None Legacy Database
cas-canonical-smile O=C(O)C(C1=CC=C(C=C1)CC(C)C)C None Legacy Database
cas-density 0.9181 g/cm3 @ Temp: 30 °C None Legacy Database
cas-inchi InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) None Legacy Database
cas-inchi-key InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N None Legacy Database
cas-melting-point 75-77 °C None Legacy Database
cas-name Ibuprofen None Legacy Database
LogP 3.073200000000001 RDKit

Molecular

Property Value Source
Molecular Weight 206.28499999999997 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 206.130679816 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 15 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 4 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 37.3 Ų RDKit

Molar

Property Value Source
Molar Refractivity 61.03480000000004 RDKit

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