Basic information
- CAS
1806-32-2- Standard SMILES
CC(c1ccccc1)c1cc(C(C)(C)C)ccc1O- InChIKey
JVJMRLZNFIEHGR-UHFFFAOYSA-N- Molecular formula
- C18H22O
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 254.16706532
Names & identifiers
- Preferred name
- Phenol, 4-(1,1-dimethylethyl)-2-(1-phenylethyl)-
- IUPAC
- 4-tert-butyl-2-(1-phenylethyl)phenol
Names & synonyms
1806-32-2Phenol, 4-(1,1-dimethylethyl)-2-(1-phenylethyl)-NSC98425NSC 984254-(tert-Butyl)-2-(1-phenylethyl)phenolAI3-25190CHEMBL1795590SCHEMBL110926382-(1-phenylethyl)-4-t-butylphenolNSC-98425
Database identifiers
- CAS
1806-32-2- PubChem CID
- 98304
- ChEMBL
CHEMBL1795590- Nikkaji
- J1.452.054F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…