3-(cyclopentyloxy)-4-methoxybenzoyl chloride

• ChemBase ID: 101634
• Molecular Formular: C13H15ClO3
• Molecular Mass: 254.7094
• Monoisotopic Mass: 254.07097202
• SMILES: c1(cc(C(=O)Cl)ccc1OC)OC1CCCC1
• Canonical SMILES: COc1ccc(cc1OC1CCCC1)C(=O)Cl
• InChI: InChI=1S/C13H15ClO3/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
• InChIKey: OWWHXPWJCDTADU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopentyloxy)-4-methoxybenzoyl chloride
• IUPAC Traditional name: 3-(cyclopentyloxy)-4-methoxybenzoyl chloride
• Synonyms: 3-(cyclopentyloxy)-4-methoxybenzoyl chloride

Database IDs

• CAS Number: 144036-19-1
• MDL Number: MFCD05865110
• PubChem SID: 162087981
• PubChem CID: 2794600

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2035177
• LogD (pH = 7.4): 3.2035177
• Log P: 3.2035177
• Molar Refractivity: 66.5123 cm^3
• Polarizability: 25.774971 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%