7-(3-chloropropoxy)-2,3-diphenyl-4H-chromen-4-one

• ChemBase ID: 81823
• Molecular Formular: C24H19ClO3
• Molecular Mass: 390.85886
• Monoisotopic Mass: 390.10227215
• SMILES: o1c(c(c2ccccc2)c(=O)c2ccc(cc12)OCCCCl)c1ccccc1
• Canonical SMILES: ClCCCOc1ccc2c(c1)oc(c(c2=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H19ClO3/c25-14-7-15-27-19-12-13-20-21(16-19)28-24(18-10-5-2-6-11-18)22(23(20)26)17-8-3-1-4-9-17/h1-6,8-13,16H,7,14-15H2
• InChIKey: UTVUPWKXKQEEMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-chloropropoxy)-2,3-diphenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-(3-chloropropoxy)-2,3-diphenylchromen-4-one
• Synonyms: 7-(3-chloropropoxy)-2,3-diphenyl-4H-chromen-4-one

Database IDs

• MDL Number: MFCD00219100
• PubChem SID: 162068942
• PubChem CID: 2777806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2022514
• LogD (pH = 7.4): 5.2022514
• Log P: 5.2022514
• Molar Refractivity: 112.0952 cm^3
• Polarizability: 42.940273 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false