Basic information
- CAS
63905-63-5- Standard SMILES
CC(C)c1ccc(-c2ccccc2)cc1O- InChIKey
LULSAOAHMUHLMJ-UHFFFAOYSA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.12011513
Names & identifiers
- Preferred name
- 3-Biphenylol, 4-isopropyl-
- IUPAC
- 5-phenyl-2-propan-2-ylphenol
- English name
- 4-Isopropyl-3-biphenylol
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
3-BIPHENYLOL, 4-ISOPROPYL-4-Isopropyl-5-hydroxy biphenyl63905-63-5BRN 2522207DTXSID10213548RefChem:277130DTXCID40136039[1,1'-Biphenyl]-3-ol,4-(1-methylethyl)-SCHEMBL178785694-(Propan-2-yl)[1,1'-biphenyl]-3-ol4-Isopropyl-3-biphenylol4-Isopropyl-1,1'-biphenyl-3-ol
Show more names
4-(1-Methylethyl)[1,1'-biphenyl]-3-ol[1,1'-Biphenyl]-3-ol, 4-(1-methylethyl)-
Database identifiers
- CAS
63905-63-5- PubChem CID
- 45101
- DTXSID
DTXSID10213548- Nikkaji
- J79.035D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 349.9 · 349.9±31.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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