1-(3-Hydroxy-5,5-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
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Basic information
- Standard SMILES
CC(=O)c1cc2c(cc1O)C(C)(C)CCC2- InChIKey
NVMPTJJVXCBBOL-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1-(3-Hydroxy-5,5-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
- IUPAC
- 1-(3-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-yl)ethanone
Names & synonyms
SCHEMBL6281772NVMPTJJVXCBBOL-UHFFFAOYSA-N1-(3-Hydroxy-5,5-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
Database identifiers
- PubChem CID
- 22490798
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 282
Related reactions
4 records
Compound notes
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