[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone

C19H19N3O2 — CID 86296686

IUPAC[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(O)c(-n2cc(C(=O)c3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-5-7-15(8-6-14)19(24)16-11-22(21-20-16)17-10-13(3)4-9-18(17)23/h4-12,23H,1-3H3
InChIKeyABEOAGDVVYUWLC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.64
Rot. Bonds4

About [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone

[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 86296686) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID86296686
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(O)c(-n2cc(C(=O)c3ccc(C(C)C)cc3)nn2)c1
InChIInChI=1S/C19H19N3O2/c1-12(2)14-5-7-15(8-6-14)19(24)16-11-22(21-20-16)17-10-13(3)4-9-18(17)23/h4-12,23H,1-3H3
InChIKeyABEOAGDVVYUWLC-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.64
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]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone (CID 86296686) is [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone is Cc1ccc(O)c(-n2cc(C(=O)c3ccc(C(C)C)cc3)nn2)c1.
What is the InChIKey of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is ABEOAGDVVYUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(2)14-5-7-15(8-6-14)19(24)16-11-22(21-20-16)17-10-13(3)4-9-18(17)23/h4-12,23H,1-3H3.
What are the key properties of [1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone?
[1-(2-hydroxy-5-methylphenyl)triazol-4-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.64, 4 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]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 86296686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).