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

C15H17ClO4 — CID 12641252

IUPACdiethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1c1ccccc1Cl
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-11(15)10-7-5-6-8-12(10)16/h5-8,11H,3-4,9H2,1-2H3
InChIKeyPOQOARFOWLHVRD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.94
Rot. Bonds5

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

diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate (PubChem CID 12641252) has the molecular formula C15H17ClO4 and a molecular weight of 296.75 g/mol. Its IUPAC name is diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
PubChem CID12641252
Molecular FormulaC15H17ClO4
Molecular Weight296.75 g/mol
Exact Mass296.08
IUPAC Namediethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1c1ccccc1Cl
InChIInChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-11(15)10-7-5-6-8-12(10)16/h5-8,11H,3-4,9H2,1-2H3
InChIKeyPOQOARFOWLHVRD-UHFFFAOYSA-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

ethyl 1-amino-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
CID 82363645
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
ethyl 1-[(2,6-dichlorophenyl)methyl]cyclopropane-1-carboxylate
CID 125471436
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557722
ethyl (2R,6R)-3-azatetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene-4-carboxylate
CID 89007816
cis-(1R,2S)-2-(2-chlorophenyl)-1-ethylcyclopropan-1-amine
CID 90212874
ethyl 15-(2,2,2-trifluoroacetyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
CID 15530344
ethyl 1-[(2-chlorophenyl)carbamoyl]-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxylate
CID 71720434
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate (CID 12641252) is diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC1c1ccccc1Cl.
What is the InChIKey of diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is POQOARFOWLHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO4/c1-3-19-13(17)15(14(18)20-4-2)9-11(15)10-7-5-6-8-12(10)16/h5-8,11H,3-4,9H2,1-2H3.
What are the key properties of diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate?
diethyl 2-(2-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 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 12641252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).