cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate

C12H13ClO2 — CID 86338840

IUPACcis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10-/m0/s1
InChIKeyDIFVMMJVNZYZEJ-UWVGGRQHSA-N
MW224.69 g/mol
LogP3.01
Rot. Bonds3

About cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate

cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate (PubChem CID 86338840) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
PubChem CID86338840
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Namecis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@H]1c1ccccc1Cl
InChIInChI=1S/C12H13ClO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10-/m0/s1
InChIKeyDIFVMMJVNZYZEJ-UWVGGRQHSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(2-chlorophenyl)pyrrolidine-3-carboxylate
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trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
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ethyl 2-(2-chloro-4-fluorophenyl)cyclopropane-1-carboxylate
CID 67292186
ethyl (2R,3R)-2-(2-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452981
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
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(4-nitrophenyl)methyl 2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 55472517
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
CID 90118005
trans-ethyl (1R,2R)-2-[2-chloro-4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylate
CID 91308375
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
ethyl 2-[3-chloro-4-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 167287354
1-fluoro-2-[(1R,2R)-2-methylcyclopropyl]benzene;trans-ethyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 161322254

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate (CID 86338840) is cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@H]1c1ccccc1Cl.
What is the InChIKey of cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is DIFVMMJVNZYZEJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate?
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 224.69 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86338840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).