Basic information
- CAS
4397-09-5- Standard SMILES
CCC(O)(c1ccccc1)C(C)C- InChIKey
OXHYBLKMOOPCOD-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 2-Methyl-3-phenylpentan-3-ol
- IUPAC
- 2-methyl-3-phenylpentan-3-ol
Names & synonyms
2-methyl-3-phenylpentan-3-ol4397-09-5DTXSID90294618RefChem:263314DTXCID002457572-methyl-3-phenyl-3-pentanolNSC97441AethylisopropylphenylcarbinolNCIOpen2_001725SCHEMBL12238644NSC-97441
Database identifiers
- CAS
4397-09-5- PubChem CID
- 263106
- DTXSID
DTXSID90294618- Nikkaji
- J1.471.536C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 147
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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