7-(prop-2-en-1-yloxy)-2H-chromen-2-one

• ChemBase ID: 182651
• Molecular Formular: C12H10O3
• Molecular Mass: 202.206
• Monoisotopic Mass: 202.06299418
• SMILES: o1c2c(ccc1=O)ccc(c2)OCC=C
• Canonical SMILES: C=CCOc1ccc2c(c1)oc(=O)cc2
• InChI: InChI=1S/C12H10O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h2-6,8H,1,7H2
• InChIKey: KWNHWLBNDYLDEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(prop-2-en-1-yloxy)-2H-chromen-2-one
• IUPAC Traditional name: 7-(prop-2-en-1-yloxy)chromen-2-one

Database IDs

• PubChem SID: 164238561
• PubChem CID: 327169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3569381
• LogD (pH = 7.4): 2.3569381
• Log P: 2.3569381
• Molar Refractivity: 57.1745 cm^3
• Polarizability: 21.654564 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