diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate

C15H17ClO4 — CID 12719751

IUPACdiethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC1(C(=O)OCC)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)12-9-15(12,14(18)20-4-2)10-6-5-7-11(16)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZQNJFKFPDRJIJZ-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.72
Rot. Bonds5

About diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate

diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate (PubChem CID 12719751) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
PubChem CID12719751
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Namediethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate
SMILESCCOC(=O)C1CC1(C(=O)OCC)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)12-9-15(12,14(18)20-4-2)10-6-5-7-11(16)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyZQNJFKFPDRJIJZ-UHFFFAOYSA-N
XLogP2.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl 1-(3-chloroanilino)-3-methylcyclopentane-1-carboxylate
CID 64516653
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
CID 101241031
CID 101241031
trans-ethyl (1R,2S)-2-(3-chlorophenyl)-1-nitrocyclopropane-1-carboxylate
CID 134860664
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
ethyl 1-(3-bromophenyl)bicyclo[2.1.1]hexane-2-carboxylate
CID 167883473
1-(3-chlorophenyl)-3-ethylcyclobutane-1-carboxylic acid
CID 65000366
ethyl 2-[3-(3-chlorophenyl)propyl]oxirane-2-carboxylate
CID 12932111
[4-(3-chlorophenyl)-1-methylpiperidin-4-yl] ethyl carbonate
CID 10827897

Frequently Asked Questions

What is the IUPAC name of diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate?
The IUPAC name of diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate (CID 12719751) is diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate?
The canonical SMILES for diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate is CCOC(=O)C1CC1(C(=O)OCC)c1cccc(Cl)c1.
What is the InChIKey of diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate?
The InChIKey is ZQNJFKFPDRJIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4/c1-3-19-13(17)12-9-15(12,14(18)20-4-2)10-6-5-7-11(16)8-10/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate?
diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-(3-chlorophenyl)cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 12719751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).