2-Methyl-1-benzocyclohexanone
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Basic information
- Standard SMILES
CC1C=CC2=C(CCCC2)C1=O- InChIKey
FPSCUZKGQYFMDS-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 2-Methyl-1-benzocyclohexanone
- IUPAC
- 2-methyl-5,6,7,8-tetrahydro-2H-naphthalen-1-one
Names & synonyms
2-methyl-1-benzocyclohexanone2-methyl-benzocyclohexan-1-oneSCHEMBL8003392FPSCUZKGQYFMDS-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 70252467
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 271
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Related reactions
2 records
Compound notes
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