Basic information
- CAS
7476-39-3- Standard SMILES
CCC(O)C(O)(CC)c1ccccc1- InChIKey
FKLVKNUPSADSCH-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 3-Phenylhexane-3,4-diol
- IUPAC
- 3-phenylhexane-3,4-diol
Names & synonyms
7476-39-33-phenylhexane-3,4-diolNSC401764DTXSID60322654NSC-401764
Database identifiers
- CAS
7476-39-3- PubChem CID
- 344697
- DTXSID
DTXSID60322654- Nikkaji
- J803.775B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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