4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one

C15H15NO4 — CID 136802315

IUPAC4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one
SMILESCc1ccc(CO/N=C\c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-10-3-5-12(6-4-10)9-19-16-8-13-14(17)7-11(2)20-15(13)18/h3-8,17H,9H2,1-2H3/b16-8-
InChIKeyCCGXRZZXIPUYFP-PXNMLYILSA-N
MW273.29 g/mol
LogP2.51
Rot. Bonds4

About 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one

4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one (PubChem CID 136802315) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one
PubChem CID136802315
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one
SMILESCc1ccc(CO/N=C\c2c(O)cc(C)oc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-10-3-5-12(6-4-10)9-19-16-8-13-14(17)7-11(2)20-15(13)18/h3-8,17H,9H2,1-2H3/b16-8-
InChIKeyCCGXRZZXIPUYFP-PXNMLYILSA-N
XLogP2.51
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one (CID 136802315) is 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one is Cc1ccc(CO/N=C\c2c(O)cc(C)oc2=O)cc1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one?
The InChIKey is CCGXRZZXIPUYFP-PXNMLYILSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-3-5-12(6-4-10)9-19-16-8-13-14(17)7-11(2)20-15(13)18/h3-8,17H,9H2,1-2H3/b16-8-.
What are the key properties of 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one is sourced from PubChem (CID 136802315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).