[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol

C17H17N3O2 — CID 56769452

IUPAC[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCOc1cccc(-n2nnc(CO)c2-c2ccc(C)cc2)c1
InChIInChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)17-16(11-21)18-19-20(17)14-4-3-5-15(10-14)22-2/h3-10,21H,11H2,1-2H3
InChIKeyWXPBRFSABPYCLS-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.74
Rot. Bonds4

About [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol

[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol (PubChem CID 56769452) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
PubChem CID56769452
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
SMILESCOc1cccc(-n2nnc(CO)c2-c2ccc(C)cc2)c1
InChIInChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)17-16(11-21)18-19-20(17)14-4-3-5-15(10-14)22-2/h3-10,21H,11H2,1-2H3
InChIKeyWXPBRFSABPYCLS-UHFFFAOYSA-N
XLogP2.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
4-(chloromethyl)-1-(3-methoxyphenyl)-5-(4-methoxyphenyl)triazole
CID 56769684
[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 56769459
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)triazol-4-yl]methanol
CID 56769361
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
[1-[4-(dimethylamino)phenyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94939615
[1-(3-methoxyphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 94937701
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
[1-(2-ethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 82195103
[1-(3,5-dimethylphenyl)-5-(3-fluorophenyl)triazol-4-yl]methanol
CID 82198742
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol (CID 56769452) is [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol is COc1cccc(-n2nnc(CO)c2-c2ccc(C)cc2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
The InChIKey is WXPBRFSABPYCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-6-8-13(9-7-12)17-16(11-21)18-19-20(17)14-4-3-5-15(10-14)22-2/h3-10,21H,11H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol?
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol has a molecular weight of 295.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56769452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).