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

• ChemBase ID: 188384
• Molecular Formular: C22H22O4
• Molecular Mass: 350.40768
• Monoisotopic Mass: 350.15180918
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCc1c(OC)cccc1)CCCC3
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1C)oc(=O)c1c2CCCC1
• InChI: InChI=1S/C22H22O4/c1-14-19(25-13-15-7-3-6-10-20(15)24-2)12-11-17-16-8-4-5-9-18(16)22(23)26-21(14)17/h3,6-7,10-12H,4-5,8-9,13H2,1-2H3
• InChIKey: HVWGGOYETRAOGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244294
• PubChem CID: 1325151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.826268
• LogD (pH = 7.4): 4.826268
• Log P: 4.826268
• Molar Refractivity: 100.1677 cm^3
• Polarizability: 38.723778 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds