cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate

C12H13ClO2 — CID 25137557

IUPACcis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cl)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H13ClO2/c1-2-15-11(14)12(13)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,12-/m1/s1
InChIKeyYAPAIZXHAMYBHW-ZYHUDNBSSA-N
MW224.69 g/mol
LogP2.71
Rot. Bonds3

About cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate

cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate (PubChem CID 25137557) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
PubChem CID25137557
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Namecis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cl)C[C@@H]1c1ccccc1
InChIInChI=1S/C12H13ClO2/c1-2-15-11(14)12(13)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,12-/m1/s1
InChIKeyYAPAIZXHAMYBHW-ZYHUDNBSSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
triethyl 2-chloro-3-phenylcyclopropane-1,1,2-tricarboxylate
CID 12009005
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557722
diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
CID 658963
diethyl 4-oxo-2-phenylcyclohexane-1,1-dicarboxylate
CID 10757908
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
diethyl (2R)-2-(4-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 6933747
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
diethyl (3S,5R)-3,5-diphenylpyrrolidine-2,2-dicarboxylate
CID 70676422

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate (CID 25137557) is cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cl)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate?
The InChIKey is YAPAIZXHAMYBHW-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-11(14)12(13)8-10(12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-,12-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate has a molecular weight of 224.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 25137557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).