[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone

C15H10ClN3O2 — CID 155934296

IUPAC[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1n[nH]nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-7-3-1-5-9(11)13-14(18-19-17-13)15(21)10-6-2-4-8-12(10)20/h1-8,20H,(H,17,18,19)
InChIKeyXYHBIRNINAJNHJ-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.06
Rot. Bonds3

About [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone

[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 155934296) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID155934296
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)c1n[nH]nc1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-7-3-1-5-9(11)13-14(18-19-17-13)15(21)10-6-2-4-8-12(10)20/h1-8,20H,(H,17,18,19)
InChIKeyXYHBIRNINAJNHJ-UHFFFAOYSA-N
XLogP3.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
(2-hydroxyphenyl)-[5-[4-(N-phenylanilino)phenyl]-2H-triazol-4-yl]methanone
CID 155934303
(2-hydroxyphenyl)-[5-(3-methoxyphenyl)-2H-triazol-4-yl]methanone
CID 155934139
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanol
CID 117167800
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
CID 135057764
ethyl 5-[2-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxylate
CID 169400307
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanamine
CID 105462517
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-(2-chlorophenyl)-2H-triazole-4-carbonitrile
CID 82377911
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786
2-(5-carbamoyl-2H-triazol-4-yl)-3-chlorobenzoic acid
CID 169403056

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone (CID 155934296) is [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)c1n[nH]nc1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is XYHBIRNINAJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-7-3-1-5-9(11)13-14(18-19-17-13)15(21)10-6-2-4-8-12(10)20/h1-8,20H,(H,17,18,19).
What are the key properties of [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone?
[5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 299.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-2H-triazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 155934296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).