Basic information
- CAS
30560-61-3- Standard SMILES
Cc1cc(C2(c3cc(C)c(O)c(C)c3)CCCCC2)cc(C)c1O- InChIKey
BWCAVNWKMVHLFW-UHFFFAOYSA-N- Molecular formula
- C22H28O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.20893014
Names & identifiers
- Preferred name
- 4-[1-(4-Hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol
- IUPAC
- 4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol
Names & synonyms
4-[1-(4-hydroxy-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylphenol30560-61-3CHEMBL187017Cyto12D3Maybridge1_000060MixCom1_000104Oprea1_138215SCHEMBL85465DTXSID60372679BWCAVNWKMVHLFW-UHFFFAOYSA-NBDBM50153019NS00016597
Show more names
1,1-bis(3,5-dimethyl-4-hydroxyphenyl)cyclohexane1,1-Bis-(4-hydroxy-3,5-dimethylphenyl)-cyclohexan4,4''-(cyclohexane-1,1-diyl)bis(2,6-dimethylphenol)1~3~,1~5~,3~3~,3~5~-Tetramethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol
Database identifiers
- CAS
30560-61-3- PubChem CID
- 2747679
- DTXSID
DTXSID60372679- ChEMBL
CHEMBL187017- Nikkaji
- J2.446.859C
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
1 records
Compound notes
Loading…