4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

C19H17NO5 — CID 155538248

IUPAC4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(O)c(O)c3)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C19H17NO5/c1-24-13-4-5-14(18(10-13)25-2)15-7-12(9-19(23)20-15)11-3-6-16(21)17(22)8-11/h3-10,21-22H,1-2H3,(H,20,23)
InChIKeyKWMCOLLQMRYFFY-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.14
Rot. Bonds4

About 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 155538248) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID155538248
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc(O)c(O)c3)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C19H17NO5/c1-24-13-4-5-14(18(10-13)25-2)15-7-12(9-19(23)20-15)11-3-6-16(21)17(22)8-11/h3-10,21-22H,1-2H3,(H,20,23)
InChIKeyKWMCOLLQMRYFFY-UHFFFAOYSA-N
XLogP3.14
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (CID 155538248) is 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3ccc(O)c(O)c3)cc(=O)[nH]2)c(OC)c1.
What is the InChIKey of 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is KWMCOLLQMRYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-13-4-5-14(18(10-13)25-2)15-7-12(9-19(23)20-15)11-3-6-16(21)17(22)8-11/h3-10,21-22H,1-2H3,(H,20,23).
What are the key properties of 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 339.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydroxyphenyl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155538248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).