5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one

C19H19N3O5 — CID 164618312

IUPAC5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
SMILESC=CCc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c(OC)c1
InChIInChI=1S/C19H19N3O5/c1-3-4-13-5-6-18(19(7-13)25-2)27-11-14-9-22(21-20-14)10-15-8-16(23)17(24)12-26-15/h3,5-9,12,24H,1,4,10-11H2,2H3
InChIKeyZXIBRLZOHWANPF-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.30
Rot. Bonds8

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

5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one (PubChem CID 164618312) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
PubChem CID164618312
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
SMILESC=CCc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c(OC)c1
InChIInChI=1S/C19H19N3O5/c1-3-4-13-5-6-18(19(7-13)25-2)27-11-14-9-22(21-20-14)10-15-8-16(23)17(24)12-26-15/h3,5-9,12,24H,1,4,10-11H2,2H3
InChIKeyZXIBRLZOHWANPF-UHFFFAOYSA-N
XLogP2.30
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one with MolForge

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Related Compounds

2-Ethyl-3-hydroxy-1-[3-[4-[(2-oxochromen-3-yl)oxymethyl]triazol-1-yl]propyl]pyridin-4-one
CID 141753538
Tyrosinase-IN-5
CID 163408785
(E)-2-(4-(cinnamoyloxymethyl)-1H-1,2,3-triazol-1-yl)ethyl 3-(3,4-dihydroxyphenyl)acrylate
CID 44255843
(E)-(1-(2-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)ethyl)-1H-1,2,3-triazol-4-yl)methyl 3-(3,4-dihydroxyphenyl)acrylate
CID 44255873
2-[4-[(4-Acetyl-2-methoxyphenoxy)methyl]-1-triazolyl]-1-(4-hydroxyphenyl)ethanone
CID 45480010
(1E,4E)-1-[4-[[1-(9-hydroxynonyl)triazol-4-yl]methoxy]-3,5-dimethoxyphenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
CID 46231977
8-[3-(3-hydroxypropyl)triazol-4-yl]octyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 122188672
3-[4-[2-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxyethyl]triazol-1-yl]propyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 122188676
5-Hydroxy-2-[[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
CID 164612099
7-[[1-[(5-Hydroxy-4-oxopyran-2-yl)methyl]triazol-4-yl]methoxy]chromen-2-one
CID 164612668
Methyl 4-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]triazol-4-yl]methoxy]benzoate
CID 164619284
5-Hydroxy-2-[[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one
CID 164619312

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one (CID 164618312) is 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one is C=CCc1ccc(OCc2cn(Cc3cc(=O)c(O)co3)nn2)c(OC)c1.
What is the InChIKey of 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one?
The InChIKey is ZXIBRLZOHWANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-4-13-5-6-18(19(7-13)25-2)27-11-14-9-22(21-20-14)10-15-8-16(23)17(24)12-26-15/h3,5-9,12,24H,1,4,10-11H2,2H3.
What are the key properties of 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one has a molecular weight of 369.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-[(2-methoxy-4-prop-2-enylphenoxy)methyl]triazol-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 164618312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).