2-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoyl chloride

• ChemBase ID: 56967
• Molecular Formular: C15H11Cl3O3
• Molecular Mass: 345.60504
• Monoisotopic Mass: 343.97737725
• SMILES: c1cc(c(c(c1)OC)OCc1ccc(cc1Cl)Cl)C(=O)Cl
• Canonical SMILES: COc1cccc(c1OCc1ccc(cc1Cl)Cl)C(=O)Cl
• InChI: InChI=1S/C15H11Cl3O3/c1-20-13-4-2-3-11(15(18)19)14(13)21-8-9-5-6-10(16)7-12(9)17/h2-7H,8H2,1H3
• InChIKey: ISUBMVMXXIDCSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoyl chloride
• IUPAC Traditional name: 2-[(2,4-dichlorophenyl)methoxy]-3-methoxybenzoyl chloride
• Synonyms: 2-[(2,4-Dichlorobenzyl)oxy]-3-methoxy-benzoyl chloride

Database IDs

• MDL Number: MFCD12198014
• PubChem SID: 162061730
• PubChem CID: 46779762

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7813783
• LogD (pH = 7.4): 4.7813783
• Log P: 4.7813783
• Molar Refractivity: 84.3213 cm^3
• Polarizability: 32.536736 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false