10-(phenylmethylidene)-9,10-dihydroanthracen-9-one

• ChemBase ID: 108423
• Molecular Formular: C21H14O
• Molecular Mass: 282.33526
• Monoisotopic Mass: 282.10446507
• SMILES: O=C1c2ccccc2/C(=C/c2ccccc2)/c2ccccc12
• Canonical SMILES: O=C1c2ccccc2/C(=C/c2ccccc2)/c2c1cccc2
• InChI: InChI=1S/C21H14O/c22-21-18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)21/h1-14H
• InChIKey: ZBDXDMJVRUZKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-(phenylmethylidene)-9,10-dihydroanthracen-9-one
• IUPAC Traditional name: 10-(phenylmethylidene)anthracen-9-one
• Synonyms: 9-BENZYLIDENEANTHRONE

Database IDs

• CAS Number: 14343-92-1
• PubChem SID: 162095482
• PubChem CID: 225328

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.232393
• LogD (pH = 7.4): 5.232393
• Log P: 5.232393
• Molar Refractivity: 99.583 cm^3
• Polarizability: 34.537003 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207304

MP Biomedicals Rare Chemical collection