(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

C16H15NO3 — CID 6445006

IUPAC(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1
InChIInChI=1S/C16H15NO3/c1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12/h3-11H,1-2H3/b6-3+
InChIKeyHIPIFFZGPOCRPX-ZZXKWVIFSA-N
MW269.30 g/mol
LogP2.99
Rot. Bonds5

About (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 6445006) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
PubChem CID6445006
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1
InChIInChI=1S/C16H15NO3/c1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12/h3-11H,1-2H3/b6-3+
InChIKeyHIPIFFZGPOCRPX-ZZXKWVIFSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10069029
7-hydroxy-3-(4-hydroxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10317448
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Hydroxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164320
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11176755
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
7-Hydroxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11417114

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (CID 6445006) is (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is COc1ccc(C(=O)/C=C/c2ccncc2)c(OC)c1.
What is the InChIKey of (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is HIPIFFZGPOCRPX-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12/h3-11H,1-2H3/b6-3+.
What are the key properties of (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 6445006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).