[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone

C15H10ClN3O2 — CID 86296299

IUPAC[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2O)nn1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-7-13(14(20)8-11)19-9-12(17-18-19)15(21)10-4-2-1-3-5-10/h1-9,20H
InChIKeyBZWCDCDETGAEFQ-UHFFFAOYSA-N
MW299.72 g/mol
LogP2.86
Rot. Bonds3

About [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone

[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone (PubChem CID 86296299) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone
PubChem CID86296299
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2O)nn1
InChIInChI=1S/C15H10ClN3O2/c16-11-6-7-13(14(20)8-11)19-9-12(17-18-19)15(21)10-4-2-1-3-5-10/h1-9,20H
InChIKeyBZWCDCDETGAEFQ-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-2-iodophenyl)triazole-4-carboxylic acid
CID 107626200
[1-[4-[7-[2-(5-chloro-2-hydroxyphenyl)-1H-diazete-4-carbonyl]naphthalen-2-yl]-2-hydroxy-5-methylphenyl]triazol-4-yl]-phenylmethanone
CID 144722102
1-[2-[(E)-2-carboxyethenyl]-4-chlorophenyl]triazole-4-carboxylic acid
CID 141175778
[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]-phenylmethanone
CID 11438845
methyl 1-(2,5-dichlorophenyl)triazole-4-carboxylate
CID 122241295
(7-chloroimidazo[1,2-a]pyridin-2-yl)-phenylmethanone
CID 67273335
1-(4-bromo-2-chlorophenyl)triazole-4-carboxylic acid
CID 43347403
[1-(2-bromo-4-chlorophenyl)triazol-4-yl]-piperidin-1-ylmethanone
CID 168865685
ethyl 1-(5-chloro-2-methylphenyl)triazole-4-carboxylate
CID 122241259
[1-(3-fluoro-2-methylphenyl)triazol-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 167803104
5-chloro-2-(4-chlorotriazol-1-yl)benzamide
CID 167015047
[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
CID 86296297

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone (CID 86296299) is [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2O)nn1.
What is the InChIKey of [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is BZWCDCDETGAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-6-7-13(14(20)8-11)19-9-12(17-18-19)15(21)10-4-2-1-3-5-10/h1-9,20H.
What are the key properties of [1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone?
[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 299.72 g/mol, XLogP of 2.86, 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)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 86296299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).