3-[(2-methoxyphenyl)methoxy]-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

• ChemBase ID: 194165
• Molecular Formular: C23H24O4
• Molecular Mass: 364.43426
• Monoisotopic Mass: 364.16745925
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1c(OC)cccc1)CCCCC3
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1C)oc(=O)c1c2CCCCC1
• InChI: InChI=1S/C23H24O4/c1-15-20(26-14-16-8-6-7-11-21(16)25-2)13-12-18-17-9-4-3-5-10-19(17)23(24)27-22(15)18/h6-8,11-13H,3-5,9-10,14H2,1-2H3
• InChIKey: YVPKOJHIVHAIEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyphenyl)methoxy]-4-methyl-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one
• IUPAC Traditional name: 3-[(2-methoxyphenyl)methoxy]-4-methyl-7H,8H,9H,10H,11H-cyclohepta[c]chromen-6-one

Database IDs

• PubChem SID: 164250075
• PubChem CID: 1325422

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.270837
• LogD (pH = 7.4): 5.270837
• Log P: 5.270837
• Molar Refractivity: 104.7687 cm^3
• Polarizability: 40.56632 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds