[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

C17H17N3O2 — CID 82198228

IUPAC[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESCc1ccccc1-n1nnc(CO)c1COc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-7-5-6-10-16(13)20-17(15(11-21)18-19-20)12-22-14-8-3-2-4-9-14/h2-10,21H,11-12H2,1H3
InChIKeyBJQRYOBVXKQWLO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.65
Rot. Bonds5

About [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol

[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (PubChem CID 82198228) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
PubChem CID82198228
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
SMILESCc1ccccc1-n1nnc(CO)c1COc1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-7-5-6-10-16(13)20-17(15(11-21)18-19-20)12-22-14-8-3-2-4-9-14/h2-10,21H,11-12H2,1H3
InChIKeyBJQRYOBVXKQWLO-UHFFFAOYSA-N
XLogP2.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol (CID 82198228) is [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is Cc1ccccc1-n1nnc(CO)c1COc1ccccc1.
What is the InChIKey of [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
The InChIKey is BJQRYOBVXKQWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-7-5-6-10-16(13)20-17(15(11-21)18-19-20)12-22-14-8-3-2-4-9-14/h2-10,21H,11-12H2,1H3.
What are the key properties of [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol?
[1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol has a molecular weight of 295.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-5-(phenoxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82198228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).