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

C18H17BrO2 — CID 142718704

IUPACethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C18H17BrO2/c1-2-21-18(20)17-15(12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)19/h3-11,15-17H,2H2,1H3
InChIKeyDXXLLSOZIUFWBI-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.51
Rot. Bonds4

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

ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate (PubChem CID 142718704) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
PubChem CID142718704
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Nameethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)C1c1ccccc1Br
InChIInChI=1S/C18H17BrO2/c1-2-21-18(20)17-15(12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)19/h3-11,15-17H,2H2,1H3
InChIKeyDXXLLSOZIUFWBI-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (1R,2R,3S)-2-(2-bromo-1,3-thiazol-5-yl)-3-phenylcyclopropane-1-carboxylate
CID 90071074
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 132553582
ethyl (1R,2R,3R)-2-(5-chloro-3-pyridinyl)-3-phenylcyclopropane-1-carboxylate
CID 86721177
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 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
1a,6b-dihydro-1H-cyclopropa[b][1]benzothiole-1-carboxylic acid;ethyl 1a,6b-dihydro-1H-cyclopropa[b][1]benzothiole-1-carboxylate
CID 157220338

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate (CID 142718704) is ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate is CCOC(=O)C1C(c2ccccc2)C1c1ccccc1Br.
What is the InChIKey of ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate?
The InChIKey is DXXLLSOZIUFWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrO2/c1-2-21-18(20)17-15(12-8-4-3-5-9-12)16(17)13-10-6-7-11-14(13)19/h3-11,15-17H,2H2,1H3.
What are the key properties of ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate?
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate has a molecular weight of 345.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 142718704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).