(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid

C16H15NO3 — CID 83956050

IUPAC(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccncc2)C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-2-20-14-5-3-4-13(11-14)15(16(18)19)10-12-6-8-17-9-7-12/h3-11H,2H2,1H3,(H,18,19)/b15-10-
InChIKeyOJNGESCNQGNQAW-GDNBJRDFSA-N
MW269.30 g/mol
LogP3.11
Rot. Bonds5

About (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid

(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid (PubChem CID 83956050) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
PubChem CID83956050
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid
SMILESCCOc1cccc(/C(=C/c2ccncc2)C(=O)O)c1
InChIInChI=1S/C16H15NO3/c1-2-20-14-5-3-4-13(11-14)15(16(18)19)10-12-6-8-17-9-7-12/h3-11H,2H2,1H3,(H,18,19)/b15-10-
InChIKeyOJNGESCNQGNQAW-GDNBJRDFSA-N
XLogP3.11
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-bis(3-ethoxyphenyl)prop-2-enoic acid
CID 83954828
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(Z)-2-(3-ethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 83954942
(Z)-2-(3,4-dimethylphenyl)-3-(3-ethoxyphenyl)prop-2-enoic acid
CID 83954778
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
(Z)-3-(2-ethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83955905
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(Z)-3-(4-hydroxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83950730
(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-3-(2-ethoxy-3-methoxyphenyl)-2-(3-methoxyphenyl)prop-2-enoic acid
CID 83951771
2-(3-ethoxyphenyl)-2-oxoacetaldehyde
CID 19004915

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid (CID 83956050) is (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid is CCOc1cccc(/C(=C/c2ccncc2)C(=O)O)c1.
What is the InChIKey of (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The InChIKey is OJNGESCNQGNQAW-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-14-5-3-4-13(11-14)15(16(18)19)10-12-6-8-17-9-7-12/h3-11H,2H2,1H3,(H,18,19)/b15-10-.
What are the key properties of (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid?
(Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-ethoxyphenyl)-3-pyridin-4-ylprop-2-enoic acid is sourced from PubChem (CID 83956050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).