ethyl (2S)-2-phenylcyclopropane-1-carboxylate

• ChemBase ID: 120418
• Molecular Formular: C12H14O2
• Molecular Mass: 190.23836
• Monoisotopic Mass: 190.09937969
• SMILES: C1([C@H](C1)c1ccccc1)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1C[C@@H]1c1ccccc1
• InChI: InChI=1S/C12H14O2/c1-2-14-12(13)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3/t10-,11?/m1/s1
• InChIKey: SRGUIJLJERBBCM-NFJWQWPMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-2-phenylcyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl (2S)-2-phenylcyclopropane-1-carboxylate
• Synonyms: (1S,2S)-ethyl 2-phenylcyclopropanecarboxylate

Database IDs

• PubChem SID: 162214771
• PubChem CID: 2771879

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4799757
• LogD (pH = 7.4): 2.4799757
• Log P: 2.4799757
• Molar Refractivity: 54.2042 cm^3
• Polarizability: 21.410881 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true