trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate

C14H18O2 — CID 102520538

IUPACtrans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(CC)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-14(13(15)16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/t12-,14-/m1/s1
InChIKeyOTONVPWVBXBMTK-TZMCWYRMSA-N
MW218.30 g/mol
LogP3.13
Rot. Bonds4

About trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate (PubChem CID 102520538) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
PubChem CID102520538
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nametrans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(CC)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O2/c1-3-14(13(15)16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/t12-,14-/m1/s1
InChIKeyOTONVPWVBXBMTK-TZMCWYRMSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
trans-(1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylic acid
CID 70637110
ethyl (1S)-1-(naphthalen-2-ylmethyl)-2-phenylcyclopropane-1-carboxylate
CID 166441673
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 1-amino-2-phenylcyclobutane-1-carboxylate
CID 135039689
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516
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
diethyl 1-acetyl-5-hydroxy-3-phenylpyrrolidine-2,2-dicarboxylate
CID 658963

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate (CID 102520538) is trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate is CCOC(=O)[C@]1(CC)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate?
The InChIKey is OTONVPWVBXBMTK-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-14(13(15)16-4-2)10-12(14)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 102520538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).