2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid

C18H15N3O4 — CID 135505264

IUPAC2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H15N3O4/c22-15-4-2-1-3-14(15)18-19-16(20-21-18)10-7-12-5-8-13(9-6-12)25-11-17(23)24/h1-10,22H,11H2,(H,23,24)(H,19,20,21)/b10-7+
InChIKeyXZBXTSDSAHVICM-JXMROGBWSA-N
MW337.34 g/mol
LogP2.81
Rot. Bonds6

About 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid

2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid (PubChem CID 135505264) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid
PubChem CID135505264
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1
InChIInChI=1S/C18H15N3O4/c22-15-4-2-1-3-14(15)18-19-16(20-21-18)10-7-12-5-8-13(9-6-12)25-11-17(23)24/h1-10,22H,11H2,(H,23,24)(H,19,20,21)/b10-7+
InChIKeyXZBXTSDSAHVICM-JXMROGBWSA-N
XLogP2.81
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
2-{5-[(E)-2-(4-Methoxy-phenyl)-vinyl]-2H-[1,2,4]triazol-3-yl}-phenol
CID 135498001
2-{3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl}phenol
CID 135425051
4-(5-Phenyl-4h-[1,2,4]triazol-3-ylmethoxy)-2h-chromen-2-one
CID 76329798
2-(3-(2-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)phenol
CID 389406
2-[2-[3-(carboxymethylsulfanyl)-1H-1,2,4-triazol-5-yl]phenoxy]acetic acid
CID 71554787
2-[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-1,2,4-triazol-5-yl]phenol
CID 2815473
4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
CID 76311715
4-[[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
CID 136240164
4-[[3-(4-hydroxy-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]chromen-2-one
CID 136245156
2-Methyl-2-(4-{3-[5-(4-trifluoromethyl-phenyl)-2H-[1,2,4]triazol-3-yl]-propyl}-phenoxy)-propionic acid tert-butyl ester
CID 11213981
2-methyl-2-[2-methyl-4-[1-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethoxy]phenoxy]propanoic acid
CID 11293845

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid (CID 135505264) is 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid?
The InChIKey is XZBXTSDSAHVICM-JXMROGBWSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-15-4-2-1-3-14(15)18-19-16(20-21-18)10-7-12-5-8-13(9-6-12)25-11-17(23)24/h1-10,22H,11H2,(H,23,24)(H,19,20,21)/b10-7+.
What are the key properties of 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid?
2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid has a molecular weight of 337.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenoxy]acetic acid is sourced from PubChem (CID 135505264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).