[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone

C20H15N3O2 — CID 86296297

IUPAC[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
SMILESCc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1
InChIInChI=1S/C20H15N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16/h2-12,24H,1H3
InChIKeyUCNHBHHSQGXVAF-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.67
Rot. Bonds3

About [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone

[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone (PubChem CID 86296297) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
PubChem CID86296297
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone
SMILESCc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1
InChIInChI=1S/C20H15N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16/h2-12,24H,1H3
InChIKeyUCNHBHHSQGXVAF-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dinaphthalen-2-ylmethanone
CID 10945915
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
CID 105094784
[7-(4-methylphenyl)pyrazolo[5,1-c][1,2,4]triazin-3-yl]-naphthalen-2-ylmethanone
CID 46837472
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
[1-[4-[7-[2-(5-chloro-2-hydroxyphenyl)-1H-diazete-4-carbonyl]naphthalen-2-yl]-2-hydroxy-5-methylphenyl]triazol-4-yl]-phenylmethanone
CID 144722102
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
pentakis(anthracen-2-yl(benzo[g]quinolin-2-yl)methanone);benzo[g]quinolin-2-yl(naphthalen-2-yl)methanone;ethane
CID 160839075
[1-(4-chloro-2-hydroxyphenyl)triazol-4-yl]-phenylmethanone
CID 86296299
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
(1-methyltriazol-4-yl)-quinolin-3-ylmethanone
CID 112735750
naphthalen-2-yl-(2-propylpyrazol-3-yl)methanone
CID 63976981

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone (CID 86296297) is [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone is Cc1cccc(O)c1-n1cc(C(=O)c2ccc3ccccc3c2)nn1.
What is the InChIKey of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
The InChIKey is UCNHBHHSQGXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-5-4-8-18(24)19(13)23-12-17(21-22-23)20(25)16-10-9-14-6-2-3-7-15(14)11-16/h2-12,24H,1H3.
What are the key properties of [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone?
[1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone has a molecular weight of 329.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-6-methylphenyl)triazol-4-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 86296297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).