(1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone

• ChemBase ID: 58775
• Molecular Formular: C19H14O
• Molecular Mass: 258.31386
• Monoisotopic Mass: 258.10446507
• SMILES: c1cc2c3c(c1)c(ccc3CC2)C(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccc2c3c1cccc3CC2)c1ccccc1
• InChI: InChI=1S/C19H14O/c20-19(15-5-2-1-3-6-15)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12H,9-10H2
• InChIKey: YQRRSORFUCNQAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone
• IUPAC Traditional name: (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone
• Synonyms: 1,2-Dihydroacenaphthylen-5-yl(phenyl)methanone; (1,2-dihydroacenaphthylen-5-yl)(phenyl)methanone

Database IDs

• MDL Number: MFCD00221796
• PubChem SID: 162063538
• PubChem CID: 145757

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9851923
• LogD (pH = 7.4): 4.9851923
• Log P: 4.9851923
• Molar Refractivity: 81.3639 cm^3
• Polarizability: 32.42928 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false