1-chloro-2-(ethoxydiphenylmethyl)benzene

• ChemBase ID: 164274
• Molecular Formular: C21H19ClO
• Molecular Mass: 322.82796
• Monoisotopic Mass: 322.11244291
• SMILES: c1ccc(c(c1)C(OCC)(c1ccccc1)c1ccccc1)Cl
• Canonical SMILES: CCOC(c1ccccc1Cl)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H19ClO/c1-2-23-21(17-11-5-3-6-12-17,18-13-7-4-8-14-18)19-15-9-10-16-20(19)22/h3-16H,2H2,1H3
• InChIKey: QVLBDAGOVAFTIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-(ethoxydiphenylmethyl)benzene
• IUPAC Traditional name: 1-chloro-2-(ethoxydiphenylmethyl)benzene
• Synonyms: 1-(2-Chloroethoxy)-4-[1-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]benzene; (3,3,4,4,4-d5)-(E/Z)-1-[4-(2-Chloroethoxy)phenyl]-1-[4-(t-butyldimethylsilyloxy)phenyl]-2-phenyl-1-butene

Database IDs

• CAS Number: 1020719-26-9
• PubChem SID: 162258409
• PubChem CID: 71314733

CALCULATED PROPERTIES

• LogD (pH = 5.5): 6.2423573
• LogD (pH = 7.4): 6.2423573
• Log P: 6.2423573
• Molar Refractivity: 97.6161 cm^3
• Polarizability: 37.62282 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 0

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil