4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one

C14H13NO4 — CID 135496555

IUPAC4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
SMILESCOc1ccccc1/N=C/c1c(O)cc(C)oc1=O
InChIInChI=1S/C14H13NO4/c1-9-7-12(16)10(14(17)19-9)8-15-11-5-3-4-6-13(11)18-2/h3-8,16H,1-2H3/b15-8+
InChIKeyRXDCPWWNLYHQLO-OVCLIPMQSA-N
MW259.26 g/mol
LogP2.41
Rot. Bonds3

About 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one

4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one (PubChem CID 135496555) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
PubChem CID135496555
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
SMILESCOc1ccccc1/N=C/c1c(O)cc(C)oc1=O
InChIInChI=1S/C14H13NO4/c1-9-7-12(16)10(14(17)19-9)8-15-11-5-3-4-6-13(11)18-2/h3-8,16H,1-2H3/b15-8+
InChIKeyRXDCPWWNLYHQLO-OVCLIPMQSA-N
XLogP2.41
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methylidene]-3-(2-methoxyphenyl)thiourea
CID 135547722
4-hydroxy-6-methyl-3-[(4-propan-2-ylphenyl)iminomethyl]pyran-2-one
CID 135420867
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one
CID 136765216
4,6-ditert-butyl-3-[(2-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 138115656
5,7-dihydroxy-6-[(2-hydroxyphenyl)iminomethyl]-2-methylchromen-4-one
CID 136882002
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
CID 135399133
6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 1377896
4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one
CID 136802315
3-hydroxy-4-[(2-methylphenyl)iminomethyl]isochromen-1-one
CID 4197309
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844628
1-(4-fluorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844632

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one?
The IUPAC name of 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one (CID 135496555) is 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one.
What is the SMILES notation for 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one?
The canonical SMILES for 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one is COc1ccccc1/N=C/c1c(O)cc(C)oc1=O.
What is the InChIKey of 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one?
The InChIKey is RXDCPWWNLYHQLO-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-7-12(16)10(14(17)19-9)8-15-11-5-3-4-6-13(11)18-2/h3-8,16H,1-2H3/b15-8+.
What are the key properties of 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one?
4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one has a molecular weight of 259.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one is sourced from PubChem (CID 135496555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).