Basic information
- CAS
125025-97-0- Standard SMILES
Cc1ccccc1C(C)(O)c1cccc(C(C)(O)c2ccccc2C)c1- InChIKey
ROTPBBFLUPUWCC-UHFFFAOYSA-N- Molecular formula
- C24H26O2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.19328007
Names & identifiers
- Preferred name
- 1,3-Benzenedimethanol, alpha1,alpha3-dimethyl-alpha1,alpha3-bis(methylphenyl)-
- IUPAC
- 1-[3-[1-hydroxy-1-(2-methylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethanol
Names & synonyms
alpha,alpha'-Bis(methylphenyl)-1,3-benzenediethanol1,3-Benzenedimethanol, alpha,alpha'-dimethyl-alpha,alpha'-bis(methylphenyl)-1,3-Benzenedimethanol, alpha1,alpha3-dimethyl-alpha1,alpha3-bis(methylphenyl)-RefChem:4137431,3-Benzenedimethanol, .alpha.1,.alpha.3-dimethyl-.alpha.1,.alpha.3-bis(methylphenyl)-125025-97-0SCHEMBL11336791DTXSID80924997ROTPBBFLUPUWCC-UHFFFAOYSA-N1,3-Benzenedimethanol, .alpha.,.alpha.'-dimethyl-.alpha.,.alpha.'-bis(methylphenyl)-1,1'-(1,3-Phenylene)bis[1-(2-methylphenyl)ethan-1-ol]
Database identifiers
- CAS
125025-97-0- PubChem CID
- 86207
- DTXSID
DTXSID80924997
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedimethanol, .alpha.1,.alpha.3-dimethyl-.alpha.1,.alpha.3-bis(methylphenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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