2-Phenyl-1,3-propanediol

C9H12O2CAS 1570-95-2152.19 g/mol

Open in Covalent MOL file
HOHO
Alcohol

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Density
1.1161 g/mL (at 19 °C)
Melting point
51.5–52 °C
Boiling point
176 °C (at 13 Torr)
logP
0.75Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Harmonised EU classification (CLP Annex VI, index 603-163-00-1), via PubChem.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number
1570-95-2
SMILES
OCC(CO)c1ccccc1
InChIKey
BPBDZXFJDMJLIB-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2

Weigh it out

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

Names and synonyms

4 names
  • 1,3-Propanediol, 2-phenyl-
  • NSC 78023
  • 1,3-Hydroxy-2-phenylpropane
  • 2-Phenyl-1,3-propandiol

Work with 2-Phenyl-1,3-propanediol

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

(1R)-(-)-1-Phenylethane-1,2-diol16355-00-358 % similar (S)-(+)-1-Phenyl-1,2-ethanediol25779-13-958 % similar 1-Phenyl-1,2-ethanediol7138-28-558 % similar 1-Phenyl-1,2-ethanediol93-56-158 % similar Phenylcyclopropane873-49-457 % similar 2-Phenyl-1-propanol1123-85-956 % similar 2-Amino-2-phenylethan-1-ol20989-17-756 % similar 2-Phenylpropanol37778-99-756 % 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 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7 4-Propoxyphenol18979-50-5

Elsewhere

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