(Phenanthren-1-YL)(phenyl)methanone
Basic information
- CAS
6453-93-6- Standard SMILES
O=C(c1ccccc1)c1cccc2c1ccc1ccccc12- InChIKey
KYFGEYPMYUNWFP-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- (Phenanthren-1-YL)(phenyl)methanone
- IUPAC
- phenanthren-1-yl(phenyl)methanone
Names & synonyms
6453-93-6NSC408010(PHENANTHREN-1-YL)(PHENYL)METHANONESCHEMBL7905161DTXSID10983158NSC-408010
Database identifiers
- CAS
6453-93-6- PubChem CID
- 348609
- DTXSID
DTXSID10983158
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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