[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone

C16H13N3O2 — CID 86296495

IUPAC[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyWCWGFEJSQZBIAI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.51
Rot. Bonds3

About [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone

[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone (PubChem CID 86296495) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
PubChem CID86296495
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone
SMILESCc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1
InChIInChI=1S/C16H13N3O2/c1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-10,20H,1H3
InChIKeyWCWGFEJSQZBIAI-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone (CID 86296495) is [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone is Cc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1.
What is the InChIKey of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
The InChIKey is WCWGFEJSQZBIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-7-8-15(20)14(9-11)19-10-13(17-18-19)16(21)12-5-3-2-4-6-12/h2-10,20H,1H3.
What are the key properties of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone?
[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone has a molecular weight of 279.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 86296495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).