(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid

C16H15NO3 — CID 83956228

IUPAC(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccnc2)C(=O)O)cc1C
InChIInChI=1S/C16H15NO3/c1-11-8-13(5-6-15(11)20-2)14(16(18)19)9-12-4-3-7-17-10-12/h3-10H,1-2H3,(H,18,19)/b14-9-
InChIKeyPEUARQJEXDEFSJ-ZROIWOOFSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds4

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

(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid (PubChem CID 83956228) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
PubChem CID83956228
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2cccnc2)C(=O)O)cc1C
InChIInChI=1S/C16H15NO3/c1-11-8-13(5-6-15(11)20-2)14(16(18)19)9-12-4-3-7-17-10-12/h3-10H,1-2H3,(H,18,19)/b14-9-
InChIKeyPEUARQJEXDEFSJ-ZROIWOOFSA-N
XLogP3.02
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
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-(4-methoxy-3-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956035
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
(Z)-3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83955379
3-pyridin-3-yl-2-pyrimidin-5-ylprop-2-enoic acid
CID 129285754
(Z)-3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952301
(Z)-2-(4-methoxy-3-methylphenyl)but-2-enedioic acid
CID 82116687
(E)-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 21094111
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(E)-3-pyridin-3-yl-2-thiophen-3-ylprop-2-enoic acid
CID 139757336
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)prop-2-enoic acid
CID 83955993

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid (CID 83956228) is (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid is COc1ccc(/C(=C/c2cccnc2)C(=O)O)cc1C.
What is the InChIKey of (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid?
The InChIKey is PEUARQJEXDEFSJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-8-13(5-6-15(11)20-2)14(16(18)19)9-12-4-3-7-17-10-12/h3-10H,1-2H3,(H,18,19)/b14-9-.
What are the key properties of (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid?
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid has a molecular weight of 269.30 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 83956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).