Basic information
- CAS
56740-71-7- Standard SMILES
OCCCC(c1ccccc1)c1ccccc1- InChIKey
VXHWNYWSQHXOLC-UHFFFAOYSA-N- Molecular formula
- C16H18O
- Average molar mass
- 226.31 g/mol
- Monoisotopic mass
- 226.1357652
Names & identifiers
- Preferred name
- 4,4-Diphenylbutan-1-ol
- IUPAC
- 4,4-diphenylbutan-1-ol
- English name
- 4,4-diphenylbutan-1-ol
- Molecular formula
- C16H18O
- Molecular weight
- 226.31
Names & synonyms
4,4-Diphenylbutan-1-ol56740-71-7EINECS 260-360-14,4-Diphenyl-1-butanol4,4-Dipenyl-1-butanol4,4-diphenylbutane-1-olSCHEMBL4575392DTXSID50205301DB-315960NS00033572δ-PhenylbenzenebutanolBenzenebutanol, δ-phenyl-
Database identifiers
- CAS
56740-71-7- PubChem CID
- 92519
- DTXSID
DTXSID50205301- EC Number
- 260-360-1
- Nikkaji
- J267.100J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 139 · 139-140 °C(Press: 2.5 Torr)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 15.11 · 15.11±0.10(Predicted)
Chemistry & industry
Suppliers3 total
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
12 records
Compound notes
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