3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol

C21H17N3O2 — CID 57391070

IUPAC3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol
SMILESCn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H17N3O2/c1-24-21(22-20(23-24)17-5-3-7-19(26)13-17)15-10-8-14(9-11-15)16-4-2-6-18(25)12-16/h2-13,25-26H,1H3
InChIKeyQMNADCVFUWYABD-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.23
Rot. Bonds3

About 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol

3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol (PubChem CID 57391070) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol.

Molecular Properties

Compound Name3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol
PubChem CID57391070
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol
SMILESCn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C21H17N3O2/c1-24-21(22-20(23-24)17-5-3-7-19(26)13-17)15-10-8-14(9-11-15)16-4-2-6-18(25)12-16/h2-13,25-26H,1H3
InChIKeyQMNADCVFUWYABD-UHFFFAOYSA-N
XLogP4.23
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazole
CID 155528665
3-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 25093383
3-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899473
4-[5-(3-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899474
4-[5-(4-Hydroxyphenyl)-1-methyl-1H-1,2,4-triazol-3-yl]phenol
CID 135899490
3-(5,5-Dimethyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)phenol
CID 824791
3-[5-[5-(3-Hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]thiophen-2-yl]phenol
CID 57394591
3-[5,7-Bis(benzylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]phenol
CID 162661830
3,3'-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol
CID 269793
2-{4-methyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-2-ium-3-yl}phenolate
CID 135495588
2-(4-Amino-5-(8-(4-amino-5-(2-hydroxy-4-methylphenyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)-5-methylphenol
CID 382824
4-(1-ethyl-1H-1,2,4-triazol-5-yl)-1-naphthol
CID 137025364

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol?
The IUPAC name of 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol (CID 57391070) is 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol.
What is the SMILES notation for 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol?
The canonical SMILES for 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol is Cn1nc(-c2cccc(O)c2)nc1-c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol?
The InChIKey is QMNADCVFUWYABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-24-21(22-20(23-24)17-5-3-7-19(26)13-17)15-10-8-14(9-11-15)16-4-2-6-18(25)12-16/h2-13,25-26H,1H3.
What are the key properties of 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol?
3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol has a molecular weight of 343.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(3-hydroxyphenyl)-2-methyl-1,2,4-triazol-3-yl]phenyl]phenol is sourced from PubChem (CID 57391070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).