2-Methyl-1,1-bis(4-methylphenyl)propane-1,2-diol
Basic information
- CAS
3490-60-6- Standard SMILES
Cc1ccc(C(O)(c2ccc(C)cc2)C(C)(C)O)cc1- InChIKey
SFTAVAMIMWRGKS-UHFFFAOYSA-N- Molecular formula
- C18H22O2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.16197994
Names & identifiers
- Preferred name
- 2-Methyl-1,1-bis(4-methylphenyl)propane-1,2-diol
- IUPAC
- 2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol
Names & synonyms
2-methyl-1,1-bis(4-methylphenyl)propane-1,2-diol3490-60-6NSC364008DTXSID80320758NSC-364008DS-013424
Database identifiers
- CAS
3490-60-6- PubChem CID
- 339075
- DTXSID
DTXSID80320758
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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