(2-chlorophenyl)(4-methoxyphenyl)methanone

• ChemBase ID: 164375
• Molecular Formular: C14H11ClO2
• Molecular Mass: 246.68894
• Monoisotopic Mass: 246.04475727
• SMILES: c1(C(=O)c2ccccc2Cl)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C14H11ClO2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h2-9H,1H3
• InChIKey: JLAGTIGTDCDSNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)(4-methoxyphenyl)methanone
• IUPAC Traditional name: (2-chlorophenyl)(4-methoxyphenyl)methanone
• Synonyms: (2-Chlorophenyl)(4-methoxyphenyl)-methanone; (2-Chlorophenyl)(4-methoxyphenyl)methanone; 2-Chloro-4'-methoxybenzophenone; 2'-Chloro-4-methoxybenzophenone; 2-Chloro-4'-methoxybenzophenone; (2-chlorophenyl)(4-methoxyphenyl)methanone

Database IDs

• CAS Number: 54118-74-0
• MDL Number: MFCD02258268
• PubChem SID: 162258510
• PubChem CID: 884932

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: 26.369104 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Solid
• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 3.899

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - C367930

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)