1-[(2-methoxyphenyl)methoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

• ChemBase ID: 188296
• Molecular Formular: C22H22O4
• Molecular Mass: 350.40768
• Monoisotopic Mass: 350.15180918
• SMILES: c12c3c(oc(=O)c1CCCC2)cc(cc3OCc1c(OC)cccc1)C
• Canonical SMILES: COc1ccccc1COc1cc(C)cc2c1c1CCCCc1c(=O)o2
• InChI: InChI=1S/C22H22O4/c1-14-11-19(25-13-15-7-3-6-10-18(15)24-2)21-16-8-4-5-9-17(16)22(23)26-20(21)12-14/h3,6-7,10-12H,4-5,8-9,13H2,1-2H3
• InChIKey: MWVPGBVJNODYGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methoxyphenyl)methoxy]-3-methyl-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
• IUPAC Traditional name: 1-[(2-methoxyphenyl)methoxy]-3-methyl-7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Database IDs

• PubChem SID: 164244206
• PubChem CID: 1325468

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: 38.723854 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