5-hydroxy-7H-benzo[c]fluoren-7-one

• ChemBase ID: 192218
• Molecular Formular: C17H10O2
• Molecular Mass: 246.2601
• Monoisotopic Mass: 246.06807956
• SMILES: c12c(C(=O)c3c1cccc3)cc(c1c2cccc1)O
• Canonical SMILES: O=C1c2ccccc2c2c1cc(O)c1c2cccc1
• InChI: InChI=1S/C17H10O2/c18-15-9-14-16(11-6-2-1-5-10(11)15)12-7-3-4-8-13(12)17(14)19/h1-9,18H
• InChIKey: CMGHSVGJLXOGMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-7H-benzo[c]fluoren-7-one
• IUPAC Traditional name: 5-hydroxybenzo[c]fluoren-7-one

Database IDs

• PubChem SID: 164248128
• PubChem CID: 127580

CALCULATED PROPERTIES

• Acid pKa: 8.424382
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.791977
• LogD (pH = 7.4): 3.7535412
• Log P: 3.7924898
• Molar Refractivity: 74.1428 cm^3
• Polarizability: 30.881104 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds