ethyl 2-(4-methoxyphenyl)cyclopropane-1-carboxylate

• ChemBase ID: 249102
• Molecular Formular: C13H16O3
• Molecular Mass: 220.26434
• Monoisotopic Mass: 220.10994437
• SMILES: C1(C(C1)c1ccc(cc1)OC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1CC1c1ccc(cc1)OC
• InChI: InChI=1S/C13H16O3/c1-3-16-13(14)12-8-11(12)9-4-6-10(15-2)7-5-9/h4-7,11-12H,3,8H2,1-2H3
• InChIKey: LNIFCHLLDTWCIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-methoxyphenyl)cyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 2-(4-methoxyphenyl)cyclopropane-1-carboxylate
• Synonyms: ethyl 2-(4-methoxyphenyl)cyclopropane-1-carboxylate

Database IDs

• MDL Number: MFCD02258631
• PubChem SID: 164305012
• PubChem CID: 244562

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3223042
• LogD (pH = 7.4): 2.3223042
• Log P: 2.3223042
• Molar Refractivity: 60.6674 cm^3
• Polarizability: 23.928833 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78 - 80°C
• Hydrophobicity(logP): 2.772

Product Information

• Purity: 95%