1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone

C16H13N3O3 — CID 175449411

IUPAC1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2cccc(O)c2)nn1)c1ccc(O)cc1
InChIInChI=1S/C16H13N3O3/c20-13-6-4-11(5-7-13)16(22)10-19-9-15(17-18-19)12-2-1-3-14(21)8-12/h1-9,20-21H,10H2
InChIKeyFYHFQLLSPCGUBY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.24
Rot. Bonds4

About 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone

1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone (PubChem CID 175449411) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
PubChem CID175449411
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
SMILESO=C(Cn1cc(-c2cccc(O)c2)nn1)c1ccc(O)cc1
InChIInChI=1S/C16H13N3O3/c20-13-6-4-11(5-7-13)16(22)10-19-9-15(17-18-19)12-2-1-3-14(21)8-12/h1-9,20-21H,10H2
InChIKeyFYHFQLLSPCGUBY-UHFFFAOYSA-N
XLogP2.24
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone (CID 175449411) is 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone is O=C(Cn1cc(-c2cccc(O)c2)nn1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone?
The InChIKey is FYHFQLLSPCGUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-13-6-4-11(5-7-13)16(22)10-19-9-15(17-18-19)12-2-1-3-14(21)8-12/h1-9,20-21H,10H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone?
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone has a molecular weight of 295.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone is sourced from PubChem (CID 175449411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).