Basic information
- CAS
4435-52-3- Standard SMILES
CC(CC(O)c1ccccc1)c1ccccc1- InChIKey
HHOIGVVVPSBYKO-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.13576519
Names & identifiers
- Preferred name
- 1,3-Diphenylbutan-1-ol
- IUPAC
- 1,3-diphenylbutan-1-ol
Names & synonyms
1,3-diphenylbutan-1-ol4435-52-3DTXSID80289199RefChem:219091DTXCID20240345NSC59795SCHEMBL11035088NSC-59795AKOS013217103
Database identifiers
- CAS
4435-52-3- PubChem CID
- 246552
- DTXSID
DTXSID80289199- Nikkaji
- J2.736.621J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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