ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate

C14H18O2 — CID 68528619

IUPACethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
SMILESC=C(C)c1cccc(C(C)C(=O)OCC)c1
InChIInChI=1S/C14H18O2/c1-5-16-14(15)11(4)13-8-6-7-12(9-13)10(2)3/h6-9,11H,2,5H2,1,3-4H3
InChIKeyYZJBTBYGOVLORB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate

ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate (PubChem CID 68528619) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
PubChem CID68528619
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
SMILESC=C(C)c1cccc(C(C)C(=O)OCC)c1
InChIInChI=1S/C14H18O2/c1-5-16-14(15)11(4)13-8-6-7-12(9-13)10(2)3/h6-9,11H,2,5H2,1,3-4H3
InChIKeyYZJBTBYGOVLORB-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl (2S)-2-phenylpropanoate
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methyl (2R)-2-[3-[(E)-but-2-en-2-yl]phenyl]propanoate
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CID 23527697
CID 23527697
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
ethyl 2-(3-acetylphenyl)-2-ethoxyacetate
CID 174723952
1-butyl-3-[1-(3-prop-1-en-2-ylphenyl)ethyl]urea
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ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
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ethyl 2-(2-methyl-1-oxidopyridin-1-ium-4-yl)propanoate
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1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423
2-chloroethyl (2S)-2-(3-benzoylphenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate?
The IUPAC name of ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate (CID 68528619) is ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate is C=C(C)c1cccc(C(C)C(=O)OCC)c1.
What is the InChIKey of ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate?
The InChIKey is YZJBTBYGOVLORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-16-14(15)11(4)13-8-6-7-12(9-13)10(2)3/h6-9,11H,2,5H2,1,3-4H3.
What are the key properties of ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate?
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate has a molecular weight of 218.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate is sourced from PubChem (CID 68528619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).