ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate

C14H18O2 — CID 13245327

IUPACethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CC
InChIInChI=1S/C14H18O2/c1-3-11-10-14(11,13(15)16-4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyXJXWWABCYZIVGU-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate

ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate (PubChem CID 13245327) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
PubChem CID13245327
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CC1CC
InChIInChI=1S/C14H18O2/c1-3-11-10-14(11,13(15)16-4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyXJXWWABCYZIVGU-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[di(propan-2-yl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218496
ethyl 2-[[methyl(2-phenylethyl)amino]methyl]-1-phenylcyclopropane-1-carboxylate
CID 13218449
trans-ethyl (1R,2S)-2-(4-methylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 102087442
ethyl (1R,2S,4R)-2-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 93483976
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
(2-ethyl-1-prop-1-en-2-ylcyclopropyl)benzene
CID 143150696
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
ethyl 2-(methylamino)-1-phenylcyclohexane-1-carboxylate
CID 91750699
cis-ethyl (1R,2S)-2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate;hydrochloride
CID 13218479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate (CID 13245327) is ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate is CCOC(=O)C1(c2ccccc2)CC1CC.
What is the InChIKey of ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate?
The InChIKey is XJXWWABCYZIVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-11-10-14(11,13(15)16-4-2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate?
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 13245327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).