2-Benzoyl-3,4-dihydronaphthalen-1(2h)-one
Basic information
- CAS
5456-52-0- Standard SMILES
O=C(c1ccccc1)C1CCc2ccccc2C1=O- InChIKey
HUCQLDZSDDSFKF-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 2-Benzoyl-3,4-dihydronaphthalen-1(2h)-one
- IUPAC
- 2-benzoyl-3,4-dihydro-2H-naphthalen-1-one
Names & synonyms
2-benzoyl-3,4-dihydronaphthalen-1(2h)-one5456-52-0DTXSID20281399RefChem:256452DTXCID70232553NSC21519SCHEMBL599658SCHEMBL29458361NSC-21519AKOS011020870
Database identifiers
- CAS
5456-52-0- PubChem CID
- 228535
- DTXSID
DTXSID20281399- Nikkaji
- J2.188.518E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
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Compound notes
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