cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate

C15H20O2 — CID 101471522

IUPACcis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
SMILESCCC[C@]1(C(=O)OCC)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-3-10-15(14(16)17-4-2)11-13(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyCSRMEQHLVRPMRH-HIFRSBDPSA-N
MW232.32 g/mol
LogP3.52
Rot. Bonds5

About cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate

cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate (PubChem CID 101471522) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
PubChem CID101471522
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namecis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
SMILESCCC[C@]1(C(=O)OCC)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H20O2/c1-3-10-15(14(16)17-4-2)11-13(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,15+/m1/s1
InChIKeyCSRMEQHLVRPMRH-HIFRSBDPSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
dipropyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
CID 169410245
ethyl 2-phenyl-1-(propylamino)cyclohexane-1-carboxylate
CID 105401874
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557722
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
diethyl (3S,5R)-3,5-diphenylpyrrolidine-2,2-dicarboxylate
CID 70676422
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate (CID 101471522) is cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate is CCC[C@]1(C(=O)OCC)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate?
The InChIKey is CSRMEQHLVRPMRH-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-10-15(14(16)17-4-2)11-13(15)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate?
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 3.52, 5 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-phenyl-1-propylcyclopropane-1-carboxylate is sourced from PubChem (CID 101471522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).