[1,1a(2)-Biphenyl]-2,5-diol, 4-(1,1-dimethylethyl)-
Basic information
- CAS
52727-89-6- Standard SMILES
CC(C)(C)c1cc(O)c(-c2ccccc2)cc1O- InChIKey
MUPVJQAOHWJKJP-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- [1,1a(2)-Biphenyl]-2,5-diol, 4-(1,1-dimethylethyl)-
- IUPAC
- 2-tert-butyl-5-phenylbenzene-1,4-diol
Names & synonyms
SCHEMBL7761038DTXSID201385596[1,1a(2)-Biphenyl]-2,5-diol, 4-(1,1-dimethylethyl)-52727-89-6
Database identifiers
- CAS
52727-89-6- PubChem CID
- 23375006
- DTXSID
DTXSID201385596
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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