1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone

C10H8ClN3O2 — CID 15528059

IUPAC1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Cl)cc1O
InChIInChI=1S/C10H8ClN3O2/c11-7-1-2-8(9(15)3-7)10(16)4-14-6-12-5-13-14/h1-3,5-6,15H,4H2
InChIKeyRXASFYXYTIHDDH-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.52
Rot. Bonds3

About 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 15528059) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID15528059
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(Cn1cncn1)c1ccc(Cl)cc1O
InChIInChI=1S/C10H8ClN3O2/c11-7-1-2-8(9(15)3-7)10(16)4-14-6-12-5-13-14/h1-3,5-6,15H,4H2
InChIKeyRXASFYXYTIHDDH-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone (CID 15528059) is 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone is O=C(Cn1cncn1)c1ccc(Cl)cc1O.
What is the InChIKey of 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is RXASFYXYTIHDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-7-1-2-8(9(15)3-7)10(16)4-14-6-12-5-13-14/h1-3,5-6,15H,4H2.
What are the key properties of 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 237.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 15528059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).