Basic information
- CAS
83763-12-6- Standard SMILES
CCCC(CCO)(CCO)c1ccccc1- InChIKey
RCNZXFQYVXUHBN-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- 3-Phenyl-3-propylpentane-1,5-diol
- IUPAC
- 3-phenyl-3-propylpentane-1,5-diol
- English name
- 3-phenyl-3-propylpentane-1,5-diol
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
3-Phenyl-3-propylpentane-1,5-diol83763-12-6EINECS 280-696-2NSC118107DTXSID40232606RCNZXFQYVXUHBN-UHFFFAOYSA-NNSC 118107NSC-118107NS000382813-Phenyl-3-propyl-1,5-pentanediol1,5-Pentanediol, 3-phenyl-3-propyl-
Database identifiers
- CAS
83763-12-6- PubChem CID
- 97362
- DTXSID
DTXSID40232606- EC Number
- 280-696-2
- Nikkaji
- J296.184I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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