ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate

C16H15NO3 — CID 86741940

IUPACethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-19-16(18)10-7-13-5-8-14(9-6-13)20-15-4-3-11-17-12-15/h3-12H,2H2,1H3/b10-7+
InChIKeyKKYGOGKNBSTHSX-JXMROGBWSA-N
MW269.30 g/mol
LogP3.45
Rot. Bonds5

About ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate

ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate (PubChem CID 86741940) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
PubChem CID86741940
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C16H15NO3/c1-2-19-16(18)10-7-13-5-8-14(9-6-13)20-15-4-3-11-17-12-15/h3-12H,2H2,1H3/b10-7+
InChIKeyKKYGOGKNBSTHSX-JXMROGBWSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-5-pyridin-3-yloxyphenyl]prop-2-enoate
CID 70342150
(4-pyridin-3-yloxyphenyl)methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 166194144
ethyl 3-[4-(2-formamido-2-pyridin-3-ylethyl)phenyl]prop-2-enoate
CID 54406415
propyl 3-pyridin-3-ylprop-2-enoate
CID 3752856
ethyl 3-methyl-4-oxo-4-(4-pyridin-3-yloxyphenyl)butanoate
CID 14798053
(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide
CID 13392589
ethyl 3-[4-(2-methyl-4-oxopyran-3-yl)oxyphenyl]prop-2-enoate
CID 123656954
[2-(2-methoxy-5-methylphenyl)-2-oxoethyl] (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 166206002
[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl] butanoate
CID 54422607
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate (CID 86741940) is ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate is CCOC(=O)/C=C/c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate?
The InChIKey is KKYGOGKNBSTHSX-JXMROGBWSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-19-16(18)10-7-13-5-8-14(9-6-13)20-15-4-3-11-17-12-15/h3-12H,2H2,1H3/b10-7+.
What are the key properties of ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate?
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate has a molecular weight of 269.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate is sourced from PubChem (CID 86741940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).