2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone

C17H15N3O2 — CID 122429290

IUPAC2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone
SMILESCc1ccc(-n2nccn2)c(C(O)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-7-8-15(20-18-9-10-19-20)14(11-12)17(22)16(21)13-5-3-2-4-6-13/h2-11,17,22H,1H3
InChIKeyPCNAEVZIUSESHO-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.49
Rot. Bonds4

About 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone

2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone (PubChem CID 122429290) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone
PubChem CID122429290
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone
SMILESCc1ccc(-n2nccn2)c(C(O)C(=O)c2ccccc2)c1
InChIInChI=1S/C17H15N3O2/c1-12-7-8-15(20-18-9-10-19-20)14(11-12)17(22)16(21)13-5-3-2-4-6-13/h2-11,17,22H,1H3
InChIKeyPCNAEVZIUSESHO-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methoxy-2-(triazol-2-yl)phenyl]-phenylmethanone
CID 132521712
2-hydroxy-1,2-diphenylethanone;4-methylbenzene-1,2-disulfonic acid
CID 174887024
potassium 4-methyl-2-(triazol-2-yl)benzoate
CID 135371590
[2-(benzotriazol-2-yl)-5-methylphenyl] benzoate
CID 23991142
2-hydroxy-1,2-diphenylethanone
CID 159399559
(2S,3R)-3-hydroxy-2-methyl-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 12759347
2-(2-methoxy-4-methylphenyl)triazole
CID 174665520
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
2-hydroxy-2-[3-(triazol-2-yl)phenyl]acetic acid
CID 117311807
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
CID 150726546
1-(2,5-difluorophenyl)ethanone;1-[5-fluoro-2-(triazol-2-yl)phenyl]ethanol;1-[5-fluoro-2-(triazol-2-yl)phenyl]ethanone
CID 161426925
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone?
The IUPAC name of 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone (CID 122429290) is 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone.
What is the SMILES notation for 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone?
The canonical SMILES for 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone is Cc1ccc(-n2nccn2)c(C(O)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone?
The InChIKey is PCNAEVZIUSESHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-7-8-15(20-18-9-10-19-20)14(11-12)17(22)16(21)13-5-3-2-4-6-13/h2-11,17,22H,1H3.
What are the key properties of 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone?
2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone has a molecular weight of 293.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-methyl-2-(triazol-2-yl)phenyl]-1-phenylethanone is sourced from PubChem (CID 122429290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).