(3-chlorophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 164374
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: c1(C(=O)c2cccc(c2)Cl)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C14H11ClO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
• InChIKey: QUFDKCFTORNAAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chlorophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (3-chlorophenyl)(4-methoxyphenyl)methanone
• Synonyms: 3'-Chloro-4-methoxybenzophenone; (3-Chlorophenyl)(4-methoxyphenyl)-methanone; (3-Chlorophenyl)(4-methoxyphenyl)methanone; 3-Chloro-4'-methoxybenzophenone

Database IDs

• CAS Number: 13389-51-0
• PubChem SID: 162258509
• PubChem CID: 2724709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8789723
• LogD (pH = 7.4): 3.8789723
• Log P: 3.8789723
• Molar Refractivity: 67.9015 cm^3
• Polarizability: 26.354034 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid

DETAILS

Toronto Research Chemicals - C367925

A 4-Methoxybenzophenone derivative. Shows plant growth regulating activity, such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism.

REFERENCES

• Yamada, O. et al.: Agri. Biol. Chem.38, 2017 (1974)