Basic information
- CAS
87046-18-2- Standard SMILES
C=CCCC(O)C(=C)c1ccccc1- InChIKey
XVOQINFUQDNUBW-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 2-Phenylhepta-1,6-dien-3-ol
- IUPAC
- 2-phenylhepta-1,6-dien-3-ol
Names & synonyms
2-Phenylhepta-1,6-dien-3-olDTXSID00127398787046-18-2I+/--3-Buten-1-yl-I(2)-methylenebenzeneethanol
Database identifiers
- CAS
87046-18-2- PubChem CID
- 13086296
- DTXSID
DTXSID001273987
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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