chempirical

3-Phenoxy-1-propanol

C9H12O2CAS 6180-61-6152.19 g/mol

Open in Covalent MOL file
HOO
AlcoholEther

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Boiling point
160 °C (at 25 Torr)
logP
1.45Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
6180-61-6
SMILES
OCCCOc1ccccc1
InChIKey
AWVDYRFLCAZENH-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1-Propanol, 3-phenoxy-
  • 3-Phenoxypropanol
  • 3-Phenoxypropyl alcohol
  • 1-Phenoxy-3-propanol
  • NSC 75459

Work with 3-Phenoxy-1-propanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenoxyethanol122-99-675 % similar 1,2-Diphenoxyethane104-66-561 % similar Butyl phenyl ether1126-79-057 % similar (3-Bromopropoxy)benzene588-63-657 % similar Hydroquinone bis(2-hydroxyethyl) ether104-38-156 % similar (4-Bromobutoxy)benzene1200-03-955 % similar 1,3-Bis(2-hydroxyethoxy)benzene102-40-954 % similar 3-(Benzyloxy)-1-propanol4799-68-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 4-Propoxyphenol18979-50-5 4-Propylresorcinol18979-60-7

Elsewhere

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