(6,6'-Dimethyl-2,2'-biphenyldiyl)dimethanol
Basic information
- CAS
3594-91-0- Standard SMILES
Cc1cccc(CO)c1-c1c(C)cccc1CO- InChIKey
APVANCOMZWSFHA-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- (6,6'-Dimethyl-2,2'-biphenyldiyl)dimethanol
- IUPAC
- [2-[2-(hydroxymethyl)-6-methylphenyl]-3-methylphenyl]methanol
- English name
- [2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol
- Molecular formula
- C16H18O2
- Molecular weight
- 242.31
Names & synonyms
3594-91-0(6,6'-Dimethyl-2,2'-biphenyldiyl)dimethanolNSC361609SCHEMBL14145347DTXSID00320578NSC-361609(6,6'-Dimethyl[1,1'-biphenyl]-2,2'-diyl)dimethanol[1,1'-Biphenyl]-2,2'-dimethanol, 6,6'-dimethyl-[2-[2-(hydroxymethyl)-6-methyl-phenyl]-3-methyl-phenyl]methanol
Database identifiers
- CAS
3594-91-0- PubChem CID
- 338539
- DTXSID
DTXSID00320578- Nikkaji
- J1.026.836B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 120.5 · 120.5-121.3 °C
- Boiling point
- 419 · 419.0±45.0 °C(Predicted)
- Density
- 1.127 · 1.127±0.06 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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