12-methyl-2-phenyl-2,3,4,10-tetrahydro-1,11-dioxatetraphen-10-one

• ChemBase ID: 201167
• Molecular Formular: C23H18O3
• Molecular Mass: 342.38722
• Monoisotopic Mass: 342.12559444
• SMILES: c12c(c3c(c(=O)o1)cccc3)cc1c(c2C)OC(CC1)c1ccccc1
• Canonical SMILES: Cc1c2OC(CCc2cc2c1oc(=O)c1c2cccc1)c1ccccc1
• InChI: InChI=1S/C23H18O3/c1-14-21-16(11-12-20(25-21)15-7-3-2-4-8-15)13-19-17-9-5-6-10-18(17)23(24)26-22(14)19/h2-10,13,20H,11-12H2,1H3
• InChIKey: GYQVZJIKNDYYDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12-methyl-2-phenyl-2,3,4,10-tetrahydro-1,11-dioxatetraphen-10-one
• IUPAC Traditional name: 12-methyl-2-phenyl-3,4-dihydro-2H-1,11-dioxatetraphen-10-one

Database IDs

• PubChem SID: 164257077
• PubChem CID: 3809786

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.549775
• LogD (pH = 7.4): 5.549775
• Log P: 5.549775
• Molar Refractivity: 100.6369 cm^3
• Polarizability: 39.899414 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds