5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one

C15H13N3O4 — CID 72545028

IUPAC5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one
SMILESO=c1cc(Cn2cc(COc3ccccc3)nn2)occ1O
InChIInChI=1S/C15H13N3O4/c19-14-6-13(22-10-15(14)20)8-18-7-11(16-17-18)9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeyIIXOEPKHGRTHAH-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.56
Rot. Bonds5

About 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one (PubChem CID 72545028) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one
PubChem CID72545028
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one
SMILESO=c1cc(Cn2cc(COc3ccccc3)nn2)occ1O
InChIInChI=1S/C15H13N3O4/c19-14-6-13(22-10-15(14)20)8-18-7-11(16-17-18)9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeyIIXOEPKHGRTHAH-UHFFFAOYSA-N
XLogP1.56
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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5-Hydroxy-2-[[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
CID 164612099
5-Hydroxy-2-[[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
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CID 164619685
4-[[1-[(5-Hydroxy-4-oxopyran-2-yl)methyl]triazol-4-yl]methoxy]benzaldehyde
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5-Hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
CID 164618312
2-[[4-[(4-Acetylphenoxy)methyl]triazol-1-yl]methyl]-5-hydroxypyran-4-one
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4-(Phenoxymethyl)-1-prop-2-enyltriazole
CID 44454657
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CID 46227346
(E)-N-hydroxy-3-[1-(2-phenoxyethyl)triazol-4-yl]prop-2-enamide
CID 135903323
5-Hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one (CID 72545028) is 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one is O=c1cc(Cn2cc(COc3ccccc3)nn2)occ1O.
What is the InChIKey of 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one?
The InChIKey is IIXOEPKHGRTHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14-6-13(22-10-15(14)20)8-18-7-11(16-17-18)9-21-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2.
What are the key properties of 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one has a molecular weight of 299.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 72545028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).