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Naproxen
CAS: 22204-53-1 | C14H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22204-53-1
Molecular Formula:
C14H14O3
Molecular Weight:
230.26299999999998 g/mol
Names and Synonyms:
Naproxen
(2S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid
(+)-(S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid
(2S)-2-(6-Methoxy-2-naphthyl)propanoic acid
Xenar-CR
(S)-2-(6-Methoxynaphthalen-2-yl)propanoic acid
(S)-2-(6-Methoxynaphthalen-2-yl)propionic acid
Aproxen
(S)-α-Methyl-6-methoxynaphthalene-2-acetic acid
Naprius
Naprium
Prexan
Nycopren
Reuxen
Dysmenalgit
Xenar
Proxine
Panoxen
Proxen
Veradol
Floginax
Napren
Bonyl
Laser
Naprux
MNPA
Naxen
Naprosyne
Laraflex
RS 3540
Diocodal
Apo-Naproxen
(S)-(+)-Naproxene
(S)-2-(6-Methoxy-2-naphthyl)propanoic acid
(S)-6-Methoxy-α-methyl-2-naphthaleneacetic acid
(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid
(S)-2-(6-Methoxy-2-naphthyl)propionic acid
(+)-(S)-Naproxen
(S)-Naproxen
(S)-(+)-Naproxen
(+)-Naproxen
Naixan
Equiproxen
Naprosyn
CG 3117
d-Naproxen
d-2-(6-Methoxy-2-naphthyl)propionic acid
(+)-6-Methoxy-α-methyl-2-naphthaleneacetic acid
Naproxen
(+)-2-(6-Methoxy-2-naphthyl)propionic acid
(αS)-6-Methoxy-α-methyl-2-naphthaleneacetic acid
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (S)-
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (+)-
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, (αS)-
Identifiers:
SMILES:
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChI:
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 230.26299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 230.094294308 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.036500000000001 | RDKit |
| cas-name | Naproxen None | Legacy Database |
| molecular_mass | 230.26 g/mol | Legacy Database |
| density | 1.24 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(O)C(C1=CC=C2C=C(OC)C=CC2=C1)C None | Legacy Database |
| cas-density | 1.24 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=CMWTZPSULFXXJA-VIFPVBQESA-N None | Legacy Database |
| cas-melting-point | 152-154 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 66.55080000000004 | RDKit |
