4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol

C20H15N3O2 — CID 137133385

IUPAC4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol
SMILESOc1ccc(-c2cnn(-c3ccccc3-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C20H15N3O2/c24-16-9-5-14(6-10-16)18-3-1-2-4-20(18)23-21-13-19(22-23)15-7-11-17(25)12-8-15/h1-13,24-25H
InChIKeyYYCMMLUOMFMWGW-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.01
Rot. Bonds3

About 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol

4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol (PubChem CID 137133385) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol
PubChem CID137133385
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol
SMILESOc1ccc(-c2cnn(-c3ccccc3-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C20H15N3O2/c24-16-9-5-14(6-10-16)18-3-1-2-4-20(18)23-21-13-19(22-23)15-7-11-17(25)12-8-15/h1-13,24-25H
InChIKeyYYCMMLUOMFMWGW-UHFFFAOYSA-N
XLogP4.01
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1H-1,2,3-triazol-5-yl)phenol
CID 135446116
4-{4-[3-(trifluoromethyl)phenyl]-2H-1,2,3-triazol-2-yl}phenol
CID 165900691
4-[4-[1-(3-Phenylpropyl)triazol-4-yl]phenyl]phenol
CID 51355701
4-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole
CID 122188130
4-(2-Phenyltriazol-4-yl)phenol
CID 135541862
4-[4-(2,4-Difluorophenyl)triazol-2-yl]phenol
CID 172433663
4-[4-(4-Fluorophenyl)triazol-2-yl]phenol
CID 172436114
1,2-Diazine, 3,5-di[2-hydroxyphenyl]-
CID 365022
4-(2-methyl-2H-1,2,3-triazol-4-yl)phenol
CID 135481121
4-Fluoro-3-hydroxyphenyl-3-phenylpyridazine
CID 86608511
4-[2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]triazol-4-yl]phenol
CID 153384749
4-[2-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enyl]triazol-4-yl]phenol
CID 153384781

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol?
The IUPAC name of 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol (CID 137133385) is 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol.
What is the SMILES notation for 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol?
The canonical SMILES for 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol is Oc1ccc(-c2cnn(-c3ccccc3-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol?
The InChIKey is YYCMMLUOMFMWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-16-9-5-14(6-10-16)18-3-1-2-4-20(18)23-21-13-19(22-23)15-7-11-17(25)12-8-15/h1-13,24-25H.
What are the key properties of 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol?
4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol has a molecular weight of 329.36 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-hydroxyphenyl)triazol-2-yl]phenyl]phenol is sourced from PubChem (CID 137133385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).