[4-(1,1-Dimethylethyl)cyclohexyl](1-hydroxy-2-naphthalenyl)methanone
Basic information
- CAS
1173097-25-0- Standard SMILES
CC(C)(C)C1CCC(C(=O)c2ccc3ccccc3c2O)CC1- InChIKey
XURAHDCXQJPFBH-UHFFFAOYSA-N- Molecular formula
- C21H26O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.19328007
Names & identifiers
- Preferred name
- [4-(1,1-Dimethylethyl)cyclohexyl](1-hydroxy-2-naphthalenyl)methanone
- IUPAC
- (4-tert-butylcyclohexyl)-(1-hydroxynaphthalen-2-yl)methanone
Names & synonyms
TCMDC-137495CHEMBL548101DTXSID501159734[4-(1,1-Dimethylethyl)cyclohexyl](1-hydroxy-2-naphthalenyl)methanone1173097-25-0(4-tert-Butylcyclohexyl)(1-hydroxynaphthalen-2-yl)methanone
Database identifiers
- CAS
1173097-25-0- PubChem CID
- 44531313
- DTXSID
DTXSID501159734- ChEMBL
CHEMBL548101
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…