1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone

C17H15N3O2 — CID 70597491

IUPAC1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)n2)cc1O
InChIInChI=1S/C17H15N3O2/c1-11-17(13-6-4-3-5-7-13)19-20(18-11)14-8-9-15(12(2)21)16(22)10-14/h3-10,22H,1-2H3
InChIKeyGDNBBRGMOARZKA-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.15
Rot. Bonds3

About 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone

1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone (PubChem CID 70597491) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone
PubChem CID70597491
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)n2)cc1O
InChIInChI=1S/C17H15N3O2/c1-11-17(13-6-4-3-5-7-13)19-20(18-11)14-8-9-15(12(2)21)16(22)10-14/h3-10,22H,1-2H3
InChIKeyGDNBBRGMOARZKA-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone (CID 70597491) is 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone is CC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)n2)cc1O.
What is the InChIKey of 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone?
The InChIKey is GDNBBRGMOARZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-17(13-6-4-3-5-7-13)19-20(18-11)14-8-9-15(12(2)21)16(22)10-14/h3-10,22H,1-2H3.
What are the key properties of 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone?
1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone has a molecular weight of 293.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(4-methyl-5-phenyltriazol-2-yl)phenyl]ethanone is sourced from PubChem (CID 70597491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).