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

C16H15NO3 — CID 83956040

IUPAC(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccncc2)C(=O)O)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-9-13(20-2)3-4-14(11)15(16(18)19)10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,18,19)/b15-10-
InChIKeyRXKDPIBFGGRMEW-GDNBJRDFSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds4

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

(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid (PubChem CID 83956040) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
PubChem CID83956040
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
SMILESCOc1ccc(/C(=C/c2ccncc2)C(=O)O)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-9-13(20-2)3-4-14(11)15(16(18)19)10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,18,19)/b15-10-
InChIKeyRXKDPIBFGGRMEW-GDNBJRDFSA-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)-3-(4-fluorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83955695
(Z)-2-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950888
(Z)-2-(4-methoxy-2-methylphenyl)-3-thiophen-2-ylprop-2-enoic acid
CID 83951576
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid
CID 83956035
(Z)-2-(4-methoxy-2-methylphenyl)-3-(4-methyl-3-nitrophenyl)prop-2-enoic acid
CID 112720828
(Z)-2-(4-methoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enoic acid
CID 83951656
(Z)-3-(2,4-dichlorophenyl)-2-(4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 83954749
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
(Z)-2-(2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enoic acid
CID 83950731
(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-3-(4-chlorophenyl)-2-(2,4-dimethylphenyl)prop-2-enoic acid
CID 83954536
(Z)-2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)prop-2-enoic acid
CID 83955660

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The IUPAC name of (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid (CID 83956040) is (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The canonical SMILES for (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid is COc1ccc(/C(=C/c2ccncc2)C(=O)O)c(C)c1.
What is the InChIKey of (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid?
The InChIKey is RXKDPIBFGGRMEW-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-9-13(20-2)3-4-14(11)15(16(18)19)10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,18,19)/b15-10-.
What are the key properties of (Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid?
(Z)-2-(4-methoxy-2-methylphenyl)-3-pyridin-4-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-2-methylphenyl)-3-pyridin-4-ylprop-2-enoic acid is sourced from PubChem (CID 83956040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).