1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one

C20H19N3O4 — CID 45480030

IUPAC1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-19(25)14-5-9-18(10-6-14)27-13-16-11-23(22-21-16)12-20(26)15-3-7-17(24)8-4-15/h3-11,24H,2,12-13H2,1H3
InChIKeyGEUQUSZFVWZXJI-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.04
Rot. Bonds8

About 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one

1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one (PubChem CID 45480030) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one
PubChem CID45480030
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1
InChIInChI=1S/C20H19N3O4/c1-2-19(25)14-5-9-18(10-6-14)27-13-16-11-23(22-21-16)12-20(26)15-3-7-17(24)8-4-15/h3-11,24H,2,12-13H2,1H3
InChIKeyGEUQUSZFVWZXJI-UHFFFAOYSA-N
XLogP3.04
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one with MolForge

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Related Compounds

2-[1-(2-Oxochromen-3-yl)triazol-4-yl]ethyl 2-(4-methoxyphenyl)acetate
CID 44142355
2-[4-[(4-Acetyl-2-methoxyphenoxy)methyl]-1-triazolyl]-1-(4-hydroxyphenyl)ethanone
CID 45480010
1-(4-Hydroxyphenyl)-2-[4-[(2-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480011
1-(4-Hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethanone
CID 45480014
1-(4-Hydroxyphenyl)-2-[4-[(3-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480015
2-[[1-[2-(4-Hydroxyphenyl)-2-oxoethyl]-4-triazolyl]methoxy]benzonitrile
CID 45480016
2-[4-[(2,6-Dimethylphenoxy)methyl]-1-triazolyl]-1-(4-hydroxyphenyl)ethanone
CID 45480017
1-(4-Hydroxyphenyl)-2-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]triazol-1-yl]ethanone
CID 45480019
2-[4-[(4-Acetyl-2,6-dimethylphenoxy)methyl]triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 45480025
1-(4-Hydroxyphenyl)-2-[4-[(3-methyl-4-nitrophenoxy)methyl]triazol-1-yl]ethanone
CID 45480027
2-[[1-[2-(4-Hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]-4-methoxybenzaldehyde
CID 45480028
2-[4-[(4-Benzoylphenoxy)methyl]triazol-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 45480029

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one (CID 45480030) is 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCc2cn(CC(=O)c3ccc(O)cc3)nn2)cc1.
What is the InChIKey of 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one?
The InChIKey is GEUQUSZFVWZXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-19(25)14-5-9-18(10-6-14)27-13-16-11-23(22-21-16)12-20(26)15-3-7-17(24)8-4-15/h3-11,24H,2,12-13H2,1H3.
What are the key properties of 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one?
1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one has a molecular weight of 365.39 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[2-(4-hydroxyphenyl)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 45480030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).