4-(2-phenyltriazol-4-yl)phenol

C14H11N3O — CID 135541862

IUPAC4-(2-phenyltriazol-4-yl)phenol
SMILESOc1ccc(-c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N3O/c18-13-8-6-11(7-9-13)14-10-15-17(16-14)12-4-2-1-3-5-12/h1-10,18H
InChIKeyCTICJBLHDSADTH-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.64
Rot. Bonds2

About 4-(2-phenyltriazol-4-yl)phenol

4-(2-phenyltriazol-4-yl)phenol (PubChem CID 135541862) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(2-phenyltriazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-phenyltriazol-4-yl)phenol
PubChem CID135541862
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(2-phenyltriazol-4-yl)phenol
SMILESOc1ccc(-c2cnn(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N3O/c18-13-8-6-11(7-9-13)14-10-15-17(16-14)12-4-2-1-3-5-12/h1-10,18H
InChIKeyCTICJBLHDSADTH-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-1,2,3-triazol-5-yl)phenol
CID 9815283
4-(1H-1,2,3-triazol-5-yl)phenol
CID 135446116
2-(1H-1,2,3-triazol-4-yl)-phenol
CID 135482065
4-(4-phenyl-1H-pyrazol-5-yl)phenol
CID 136110948
3-[4-(4-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]phenol
CID 44585931
4-{4-[3-(trifluoromethyl)phenyl]-2H-1,2,3-triazol-2-yl}phenol
CID 165900691
4-(1H-pyrazol-3-yl)phenol
CID 135685725
4-[1-[(2-Methylphenyl)methyl]triazol-4-yl]phenol
CID 52944087
4-[1-[(3-Methylphenyl)methyl]triazol-4-yl]phenol
CID 52948301
4,4'-(1h-1,2,3-Triazole-1,5-Diyl)diphenol
CID 135566742
4-(1-Benzyltriazol-4-yl)phenol
CID 52947093
3-[[4-(4-Hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenyltriazol-4-yl)phenol?
The IUPAC name of 4-(2-phenyltriazol-4-yl)phenol (CID 135541862) is 4-(2-phenyltriazol-4-yl)phenol.
What is the SMILES notation for 4-(2-phenyltriazol-4-yl)phenol?
The canonical SMILES for 4-(2-phenyltriazol-4-yl)phenol is Oc1ccc(-c2cnn(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2-phenyltriazol-4-yl)phenol?
The InChIKey is CTICJBLHDSADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-13-8-6-11(7-9-13)14-10-15-17(16-14)12-4-2-1-3-5-12/h1-10,18H.
What are the key properties of 4-(2-phenyltriazol-4-yl)phenol?
4-(2-phenyltriazol-4-yl)phenol has a molecular weight of 237.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenyltriazol-4-yl)phenol is sourced from PubChem (CID 135541862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).