[4-(4-phenyltriazol-1-yl)phenyl]methanediol

C15H13N3O2 — CID 140682391

IUPAC[4-(4-phenyltriazol-1-yl)phenyl]methanediol
SMILESOC(O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O2/c19-15(20)12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10,15,19-20H
InChIKeyDKXIVPJBONUKTL-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.92
Rot. Bonds3

About [4-(4-phenyltriazol-1-yl)phenyl]methanediol

[4-(4-phenyltriazol-1-yl)phenyl]methanediol (PubChem CID 140682391) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is [4-(4-phenyltriazol-1-yl)phenyl]methanediol.

Molecular Properties

Compound Name[4-(4-phenyltriazol-1-yl)phenyl]methanediol
PubChem CID140682391
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name[4-(4-phenyltriazol-1-yl)phenyl]methanediol
SMILESOC(O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O2/c19-15(20)12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10,15,19-20H
InChIKeyDKXIVPJBONUKTL-UHFFFAOYSA-N
XLogP1.92
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
4-phenyl-1-[4-[3,5,7-tris[4-(4-phenyltriazol-1-yl)phenyl]-1-adamantyl]phenyl]triazole
CID 44521623
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
3-[1-(4-hydroxyphenyl)triazol-4-yl]phenol
CID 44585930
3-[1-(4-carboxyphenyl)triazol-4-yl]benzoic acid
CID 166434559
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyltriazol-1-yl)phenyl]methanediol?
The IUPAC name of [4-(4-phenyltriazol-1-yl)phenyl]methanediol (CID 140682391) is [4-(4-phenyltriazol-1-yl)phenyl]methanediol.
What is the SMILES notation for [4-(4-phenyltriazol-1-yl)phenyl]methanediol?
The canonical SMILES for [4-(4-phenyltriazol-1-yl)phenyl]methanediol is OC(O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of [4-(4-phenyltriazol-1-yl)phenyl]methanediol?
The InChIKey is DKXIVPJBONUKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(20)12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10,15,19-20H.
What are the key properties of [4-(4-phenyltriazol-1-yl)phenyl]methanediol?
[4-(4-phenyltriazol-1-yl)phenyl]methanediol has a molecular weight of 267.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyltriazol-1-yl)phenyl]methanediol is sourced from PubChem (CID 140682391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).