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

• ChemBase ID: 188803
• Molecular Formular: C23H24O3
• Molecular Mass: 348.43486
• Monoisotopic Mass: 348.17254463
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OC/C=C(\CCC=C(C)C)/C
• Canonical SMILES: C/C(=C/COc1ccc2c(c1)oc(=O)c1c2cccc1)/CCC=C(C)C
• InChI: InChI=1S/C23H24O3/c1-16(2)7-6-8-17(3)13-14-25-18-11-12-20-19-9-4-5-10-21(19)23(24)26-22(20)15-18/h4-5,7,9-13,15H,6,8,14H2,1-3H3/b17-13-
• InChIKey: YLUHBZPLCCDBPK-LGMDPLHJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244713
• PubChem CID: 1789023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.7886167
• LogD (pH = 7.4): 5.7886167
• Log P: 5.7886167
• Molar Refractivity: 106.3231 cm^3
• Polarizability: 41.781075 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds