ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate

C19H20O2 — CID 77467095

IUPACethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccccc1C
InChIInChI=1S/C19H20O2/c1-3-21-19(20)18-16(14-10-5-4-6-11-14)17(18)15-12-8-7-9-13(15)2/h4-12,16-18H,3H2,1-2H3
InChIKeyLZVNKDWWVQDXTF-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.06
Rot. Bonds4

About ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate

ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate (PubChem CID 77467095) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
PubChem CID77467095
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Nameethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccccc1C
InChIInChI=1S/C19H20O2/c1-3-21-19(20)18-16(14-10-5-4-6-11-14)17(18)15-12-8-7-9-13(15)2/h4-12,16-18H,3H2,1-2H3
InChIKeyLZVNKDWWVQDXTF-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
ethyl (1R,2R,3R)-2-(5-chloro-3-pyridinyl)-3-phenylcyclopropane-1-carboxylate
CID 86721177
ethyl (1R,2R,3S)-2-(2-bromo-1,3-thiazol-5-yl)-3-phenylcyclopropane-1-carboxylate
CID 90071074
trans-[(2S)-2-methylbutyl] (2S,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11771260
cis-[(2S)-2-methylbutyl] (2R,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11404071
ethyl (2S,3R)-3-(2-methylphenyl)oxirane-2-carboxylate
CID 101190236
1a,6b-dihydro-1H-cyclopropa[b][1]benzothiole-1-carboxylic acid;ethyl 1a,6b-dihydro-1H-cyclopropa[b][1]benzothiole-1-carboxylate
CID 157220338
ethyl (2R,3S)-5-oxo-2-phenyl-4-phenylsulfanyloxolane-3-carboxylate
CID 101262822

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate (CID 77467095) is ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate is CCOC(=O)C1C(c2ccccc2)C1c1ccccc1C.
What is the InChIKey of ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate?
The InChIKey is LZVNKDWWVQDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-3-21-19(20)18-16(14-10-5-4-6-11-14)17(18)15-12-8-7-9-13(15)2/h4-12,16-18H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate?
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 77467095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).