[4-(2-phenoxyphenyl)triazol-1-yl]methanol

C15H13N3O2 — CID 67927974

IUPAC[4-(2-phenoxyphenyl)triazol-1-yl]methanol
SMILESOCn1cc(-c2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C15H13N3O2/c19-11-18-10-14(16-17-18)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-10,19H,11H2
InChIKeyIIWQKCMDVGZACF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.69
Rot. Bonds4

About [4-(2-phenoxyphenyl)triazol-1-yl]methanol

[4-(2-phenoxyphenyl)triazol-1-yl]methanol (PubChem CID 67927974) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [4-(2-phenoxyphenyl)triazol-1-yl]methanol.

Molecular Properties

Compound Name[4-(2-phenoxyphenyl)triazol-1-yl]methanol
PubChem CID67927974
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name[4-(2-phenoxyphenyl)triazol-1-yl]methanol
SMILESOCn1cc(-c2ccccc2Oc2ccccc2)nn1
InChIInChI=1S/C15H13N3O2/c19-11-18-10-14(16-17-18)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-10,19H,11H2
InChIKeyIIWQKCMDVGZACF-UHFFFAOYSA-N
XLogP2.69
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyphenyl)triazol-1-yl]methanol?
The IUPAC name of [4-(2-phenoxyphenyl)triazol-1-yl]methanol (CID 67927974) is [4-(2-phenoxyphenyl)triazol-1-yl]methanol.
What is the SMILES notation for [4-(2-phenoxyphenyl)triazol-1-yl]methanol?
The canonical SMILES for [4-(2-phenoxyphenyl)triazol-1-yl]methanol is OCn1cc(-c2ccccc2Oc2ccccc2)nn1.
What is the InChIKey of [4-(2-phenoxyphenyl)triazol-1-yl]methanol?
The InChIKey is IIWQKCMDVGZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-11-18-10-14(16-17-18)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-10,19H,11H2.
What are the key properties of [4-(2-phenoxyphenyl)triazol-1-yl]methanol?
[4-(2-phenoxyphenyl)triazol-1-yl]methanol has a molecular weight of 267.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyphenyl)triazol-1-yl]methanol is sourced from PubChem (CID 67927974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).