6-oxo-6H-benzo[c]chromen-3-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 193198
• Molecular Formular: C23H18O7
• Molecular Mass: 406.38482
• Monoisotopic Mass: 406.10525292
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OC(=O)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1)oc(=O)c1c2cccc1
• InChI: InChI=1S/C23H18O7/c1-26-19-10-13(11-20(27-2)21(19)28-3)22(24)29-14-8-9-16-15-6-4-5-7-17(15)23(25)30-18(16)12-14/h4-12H,1-3H3
• InChIKey: HZDZUAOZMJJPBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-oxo-6H-benzo[c]chromen-3-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: 6-oxobenzo[c]chromen-3-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164249108
• PubChem CID: 2787075

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.113749
• LogD (pH = 7.4): 4.113749
• Log P: 4.113749
• Molar Refractivity: 108.1316 cm^3
• Polarizability: 42.815594 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds