3-[(3-phenoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one

• ChemBase ID: 181897
• Molecular Formular: C26H18O4
• Molecular Mass: 394.41872
• Monoisotopic Mass: 394.12050906
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OCc1cc(Oc2ccccc2)ccc1
• Canonical SMILES: O=c1oc2cc(OCc3cccc(c3)Oc3ccccc3)ccc2c2c1cccc2
• InChI: InChI=1S/C26H18O4/c27-26-24-12-5-4-11-22(24)23-14-13-20(16-25(23)30-26)28-17-18-7-6-10-21(15-18)29-19-8-2-1-3-9-19/h1-16H,17H2
• InChIKey: WMSVJHWIVHFEGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-phenoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-[(3-phenoxyphenyl)methoxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164237807
• PubChem CID: 3121207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9924164
• LogD (pH = 7.4): 5.9924164
• Log P: 5.9924164
• Molar Refractivity: 114.2557 cm^3
• Polarizability: 45.588234 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds