4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one

C16H17NO3 — CID 89134144

IUPAC4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one
SMILESC=C(OC)c1cccc(-n2c(C)cc(O)cc2=O)c1C
InChIInChI=1S/C16H17NO3/c1-10-8-13(18)9-16(19)17(10)15-7-5-6-14(11(15)2)12(3)20-4/h5-9,18H,3H2,1-2,4H3
InChIKeyMASGUIAKYXYMDR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.78
Rot. Bonds3

About 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one

4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one (PubChem CID 89134144) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one
PubChem CID89134144
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one
SMILESC=C(OC)c1cccc(-n2c(C)cc(O)cc2=O)c1C
InChIInChI=1S/C16H17NO3/c1-10-8-13(18)9-16(19)17(10)15-7-5-6-14(11(15)2)12(3)20-4/h5-9,18H,3H2,1-2,4H3
InChIKeyMASGUIAKYXYMDR-UHFFFAOYSA-N
XLogP2.78
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one (CID 89134144) is 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one is C=C(OC)c1cccc(-n2c(C)cc(O)cc2=O)c1C.
What is the InChIKey of 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one?
The InChIKey is MASGUIAKYXYMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-8-13(18)9-16(19)17(10)15-7-5-6-14(11(15)2)12(3)20-4/h5-9,18H,3H2,1-2,4H3.
What are the key properties of 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one?
4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(1-methoxyethenyl)-2-methylphenyl]-6-methylpyridin-2-one is sourced from PubChem (CID 89134144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).