2-methoxy-3-methylbenzoyl chloride

• ChemBase ID: 121837
• Molecular Formular: C9H9ClO2
• Molecular Mass: 184.61956
• Monoisotopic Mass: 184.02910721
• SMILES: c1(c(c(ccc1)C)OC)C(=O)Cl
• Canonical SMILES: COc1c(C)cccc1C(=O)Cl
• InChI: InChI=1S/C9H9ClO2/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3
• InChIKey: XQUPQFHWGYHBLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-3-methylbenzoyl chloride
• IUPAC Traditional name: 2-methoxy-3-methylbenzoyl chloride
• Synonyms: 2-methoxy-3-methylbenzoyl chloride

Database IDs

• PubChem SID: 162216190
• PubChem CID: 4771138

CALCULATED PROPERTIES

• Log P: 2.5199084
• Molar Refractivity: 48.6771 cm^3
• Polarizability: 18.380068 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5199084
• LogD (pH = 7.4): 2.5199084