diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate

C15H17ClO4 — CID 6933747

IUPACdiethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyWHGBMFXPDCARTE-GFCCVEGCSA-N
MW296.75 g/mol
LogP2.94
Rot. Bonds5

About diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate

diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 6933747) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
PubChem CID6933747
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Namediethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1
InChIKeyWHGBMFXPDCARTE-GFCCVEGCSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
1-ethoxycarbonyl-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 46935229
2-(4-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093950
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
diethyl (3S,5S)-3-(4-chlorophenyl)-5-methylpyrrolidine-2,2-dicarboxylate
CID 132596186
diethyl 2-(4-chlorophenyl)sulfonylcyclopropane-1,1-dicarboxylate
CID 102569031
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
cis-diethyl (2S,3R)-2-(4-chlorophenyl)-3-formylcyclopropane-1,1-dicarboxylate
CID 102086771
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557722
ethyl 3-(4-chlorophenyl)-2-pentan-3-yloxirane-2-carboxylate
CID 88729785

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate (CID 6933747) is diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is WHGBMFXPDCARTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-12(15)10-5-7-11(16)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m1/s1.
What are the key properties of diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate?
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 296.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 6933747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).