Phenol, 4,4'-[1-methyl-4-(1-methylethyl)-1,3-cyclohexanediyl]bis-
Basic information
- CAS
163748-41-2- Standard SMILES
CC(C)C1CCC(C)(c2ccc(O)cc2)CC1c1ccc(O)cc1- InChIKey
IFXCFXBIEFACDX-UHFFFAOYSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893013
Names & identifiers
- Preferred name
- Phenol, 4,4'-[1-methyl-4-(1-methylethyl)-1,3-cyclohexanediyl]bis-
- IUPAC
- 4-[5-(4-hydroxyphenyl)-5-methyl-2-propan-2-ylcyclohexyl]phenol
Names & synonyms
163748-41-2Phenol, 4,4'-[1-methyl-4-(1-methylethyl)-1,3-cyclohexanediyl]bis-SCHEMBL1005980DTXSID504599682~1~-Methyl-2~4~-(propan-2-yl)-2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-hexahydro[1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~,3~4~-diol
Database identifiers
- CAS
163748-41-2- PubChem CID
- 11244239
- DTXSID
DTXSID50459968- Nikkaji
- J839.313C
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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