4-chloro-1-[4-(chloromethyl)phenoxy]-2-methylbenzene

• ChemBase ID: 275368
• Molecular Formular: C14H12Cl2O
• Molecular Mass: 267.15048
• Monoisotopic Mass: 266.02652036
• SMILES: c1(c(cc(cc1)Cl)C)Oc1ccc(cc1)CCl
• Canonical SMILES: ClCc1ccc(cc1)Oc1ccc(cc1C)Cl
• InChI: InChI=1S/C14H12Cl2O/c1-10-8-12(16)4-7-14(10)17-13-5-2-11(9-15)3-6-13/h2-8H,9H2,1H3
• InChIKey: GQPDBRPDLGAQBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-[4-(chloromethyl)phenoxy]-2-methylbenzene
• IUPAC Traditional name: 4-chloro-1-[4-(chloromethyl)phenoxy]-2-methylbenzene
• Synonyms: 4-chloro-1-[4-(chloromethyl)phenoxy]-2-methylbenzene

Database IDs

• MDL Number: MFCD11190733
• PubChem SID: 164331278
• PubChem CID: 28947251

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1782413
• LogD (pH = 7.4): 5.1782413
• Log P: 5.1782413
• Molar Refractivity: 72.0117 cm^3
• Polarizability: 27.931442 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 6.014

Product Information

• Purity: 95%