3-Phenylpropane-1,2-diol
Basic information
- CAS
17131-14-5- Standard SMILES
OCC(O)Cc1ccccc1- InChIKey
JHWQMXKQJVAWKI-UHFFFAOYSA-N- Molecular formula
- C9H12O2
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.08372962
Names & identifiers
- Preferred name
- 3-Phenylpropane-1,2-diol
- IUPAC
- 3-phenylpropane-1,2-diol
Names & synonyms
3-phenylpropane-1,2-diol17131-14-5DTXSID80277814RefChem:281837DTXCID302289721,2-Propanediol, 3-phenyl-3-phenyl-1,2-propanediolSCHEMBL25158SCHEMBL891157SCHEMBL3034215SCHEMBL4337931SCHEMBL6198194
Show more names
SCHEMBL9219688SCHEMBL29061185NSC4322NSC-4322MFCD09753827AKOS017514819DA-09349PD042282
Database identifiers
- CAS
17131-14-5- PubChem CID
- 220862
- DTXSID
DTXSID80277814- Nikkaji
- J803.761B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
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Related reactions
1 records
Compound notes
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