ethyl 2-(2-ethylphenyl)propanoate

C13H18O2 — CID 105459112

IUPACethyl 2-(2-ethylphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccccc1CC
InChIInChI=1S/C13H18O2/c1-4-11-8-6-7-9-12(11)10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3
InChIKeyDSDLZQZOIHACNL-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-(2-ethylphenyl)propanoate

ethyl 2-(2-ethylphenyl)propanoate (PubChem CID 105459112) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is ethyl 2-(2-ethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethylphenyl)propanoate
PubChem CID105459112
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nameethyl 2-(2-ethylphenyl)propanoate
SMILESCCOC(=O)C(C)c1ccccc1CC
InChIInChI=1S/C13H18O2/c1-4-11-8-6-7-9-12(11)10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3
InChIKeyDSDLZQZOIHACNL-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl (2S)-2-phenylpropanoate
CID 7204861
ethyl 2-(2,3-dibromophenyl)propanoate
CID 141245213
ethyl 2-[(2-ethylphenyl)methylamino]propanoate
CID 62391416
ethyl 2-[(2-propan-2-ylphenyl)methylamino]propanoate
CID 171060467
ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
ethyl 2-[2-[(2-aminoacetyl)amino]phenyl]propanoate
CID 54217983
ethyl (2R)-2-(2-ethylphenyl)sulfanylpropanoate
CID 97354746
ethyl 4-chloro-4-(2-ethylphenyl)butanoate
CID 103440097
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylphenyl)propanoate?
The IUPAC name of ethyl 2-(2-ethylphenyl)propanoate (CID 105459112) is ethyl 2-(2-ethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(2-ethylphenyl)propanoate?
The canonical SMILES for ethyl 2-(2-ethylphenyl)propanoate is CCOC(=O)C(C)c1ccccc1CC.
What is the InChIKey of ethyl 2-(2-ethylphenyl)propanoate?
The InChIKey is DSDLZQZOIHACNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-11-8-6-7-9-12(11)10(3)13(14)15-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2-ethylphenyl)propanoate?
ethyl 2-(2-ethylphenyl)propanoate has a molecular weight of 206.28 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-(2-ethylphenyl)propanoate is sourced from PubChem (CID 105459112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).