3-[(2-methylprop-2-en-1-yl)oxy]-6H-benzo[c]chromen-6-one

• ChemBase ID: 183768
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OCC(=C)C
• Canonical SMILES: CC(=C)COc1ccc2c(c1)oc(=O)c1c2cccc1
• InChI: InChI=1S/C17H14O3/c1-11(2)10-19-12-7-8-14-13-5-3-4-6-15(13)17(18)20-16(14)9-12/h3-9H,1,10H2,2H3
• InChIKey: SYAQUPQZRPWGQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methylprop-2-en-1-yl)oxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-[(2-methylprop-2-en-1-yl)oxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164239678
• PubChem CID: 721848

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7422674
• LogD (pH = 7.4): 3.7422674
• Log P: 3.7422674
• Molar Refractivity: 76.847 cm^3
• Polarizability: 30.936201 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds