3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one

C18H15NO3 — CID 123867239

IUPAC3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one
SMILESO=c1ccoc(CNc2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C18H15NO3/c20-16-10-11-22-17(18(16)21)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19,21H,12H2
InChIKeyPPEOPDIOCNWDFS-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.62
Rot. Bonds4

About 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one

3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one (PubChem CID 123867239) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one
PubChem CID123867239
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one
SMILESO=c1ccoc(CNc2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C18H15NO3/c20-16-10-11-22-17(18(16)21)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19,21H,12H2
InChIKeyPPEOPDIOCNWDFS-UHFFFAOYSA-N
XLogP3.62
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-2-(hydroxymethyl)-1-(4-phenylphenyl)pyridin-4-one
CID 118736605
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
5-Hydroxy-2-methyl-1-(4-phenylphenyl)pyridin-4-one
CID 130424161
(Z)-2-methoxy-3-phenyl-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 56968196
2-(2-Aminoethyl)-5-hydroxy-1-(3-phenylphenyl)pyridin-4-one
CID 118736610
N-(4-isopropylphenyl)-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378221
4-hydroxy-5-[[4-[(5-hydroxy-4-oxopyran-2-yl)methylamino]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91384297
N-(3,4-dimethylphenyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 178298097
3-Hydroxy-6-methylsulfonyl-2-[[4-(4-morpholin-4-ylphenyl)anilino]methyl]pyran-4-one
CID 178323079
5-hydroxy-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
CID 11522397
3-hydroxy-6-methyl-4-oxo-N-(4-phenylphenyl)pyran-2-carboxamide
CID 54724245
3-Hydroxy-2-methyl-1-(4-phenylphenyl)pyridin-4-one
CID 57513537

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one (CID 123867239) is 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one is O=c1ccoc(CNc2ccc(-c3ccccc3)cc2)c1O.
What is the InChIKey of 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one?
The InChIKey is PPEOPDIOCNWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-16-10-11-22-17(18(16)21)12-19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-11,19,21H,12H2.
What are the key properties of 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one?
3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one has a molecular weight of 293.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-phenylanilino)methyl]pyran-4-one is sourced from PubChem (CID 123867239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).