1-(3-chloropropyl)-2-methoxybenzene

• ChemBase ID: 248894
• Molecular Formular: C10H13ClO
• Molecular Mass: 184.66262
• Monoisotopic Mass: 184.06549272
• SMILES: c1(c(CCCCl)cccc1)OC
• Canonical SMILES: ClCCCc1ccccc1OC
• InChI: InChI=1S/C10H13ClO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6,8H2,1H3
• InChIKey: IPJLXAZYIJLXHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloropropyl)-2-methoxybenzene
• IUPAC Traditional name: 1-(3-chloropropyl)-2-methoxybenzene
• Synonyms: 1-(3-chloropropyl)-2-methoxybenzene

Database IDs

• MDL Number: MFCD09744304
• PubChem SID: 164304804
• PubChem CID: 18467351

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1360464
• LogD (pH = 7.4): 3.1360464
• Log P: 3.1360464
• Molar Refractivity: 51.7441 cm^3
• Polarizability: 20.106207 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.331

Product Information

• Purity: 95%