ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate

C14H15ClO3 — CID 14556276

IUPACethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2(c3ccc(Cl)cc3)CO2)CC1
InChIInChI=1S/C14H15ClO3/c1-2-17-12(16)13(7-8-13)14(9-18-14)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyCMNRRJIKQZQSKI-UHFFFAOYSA-N
MW266.72 g/mol
LogP2.91
Rot. Bonds4

About ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate

ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate (PubChem CID 14556276) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
PubChem CID14556276
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Nameethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2(c3ccc(Cl)cc3)CO2)CC1
InChIInChI=1S/C14H15ClO3/c1-2-17-12(16)13(7-8-13)14(9-18-14)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyCMNRRJIKQZQSKI-UHFFFAOYSA-N
XLogP2.91
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
ethyl 2-[3-(4-chlorophenyl)oxetan-3-yl]acetate
CID 46204178
ethyl 3-(4-chloroanilino)oxolane-3-carboxylate
CID 63333028
diethyl 2-[(3R)-3-(4-chlorophenyl)oxolane-3-carbonyl]propanedioate
CID 124565047
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
2-(4-chlorophenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylic acid;ethyl 2-(4-methoxyphenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylate;2-(4-methoxyphenyl)-5,5-diphenyl-1,3-dioxane-2-carboxylic acid
CID 159415950
ethyl 2-(4-chlorophenyl)-5-(9H-fluoren-9-yl)-1,3-dioxane-2-carboxylate
CID 18626569
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
methyl 2-(4-chlorobenzoyl)oxirane-2-carboxylate
CID 11673153
cis-diethyl (2S,3R)-2-(4-chlorophenyl)-3-formylcyclopropane-1,1-dicarboxylate
CID 102086771

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate (CID 14556276) is ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(C2(c3ccc(Cl)cc3)CO2)CC1.
What is the InChIKey of ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate?
The InChIKey is CMNRRJIKQZQSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-2-17-12(16)13(7-8-13)14(9-18-14)10-3-5-11(15)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate?
ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate has a molecular weight of 266.72 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chlorophenyl)oxiran-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 14556276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).