Basic information
- CAS
36748-84-2- Standard SMILES
CCC(C)C(CO)c1ccccc1- InChIKey
BPCBJIKKAINGQY-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 1-Pentanol, 3-methyl-2-phenyl-
- IUPAC
- 3-methyl-2-phenylpentan-1-ol
Names & synonyms
36748-84-21-Pentanol, 3-methyl-2-phenyl-RefChem:10561913-methyl-2-phenylpentan-1-olNSC16563284658-56-0SCHEMBL13909501DTXSID809579671-Pentanol, 3-methyl-2-phenyl-,AKOS009358342NSC-165632BETA-(SEC-BUTYL)-PHENETHYL ALCOHOL
Database identifiers
- CAS
36748-84-2、84658-56-0- PubChem CID
- 142104
- DTXSID
DTXSID80957967
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…