3-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-methoxy-6H-benzo[c]chromen-6-one

• ChemBase ID: 188799
• Molecular Formular: C24H26O4
• Molecular Mass: 378.46084
• Monoisotopic Mass: 378.18310931
• SMILES: c1(=O)c2c(c3c(o1)cc(cc3)OC/C=C(\CCC=C(C)C)/C)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OC/C=C(\CCC=C(C)C)/C
• InChI: InChI=1S/C24H26O4/c1-16(2)6-5-7-17(3)12-13-27-19-9-11-21-20-10-8-18(26-4)14-22(20)24(25)28-23(21)15-19/h6,8-12,14-15H,5,7,13H2,1-4H3/b17-12-
• InChIKey: AKXBVMXTTMBXLH-ATVHPVEESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-methoxy-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-8-methoxybenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164244709
• PubChem CID: 1789016

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.630945
• LogD (pH = 7.4): 5.630945
• Log P: 5.630945
• Molar Refractivity: 112.7863 cm^3
• Polarizability: 44.26445 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds