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

C17H15N3O3 — CID 5293867

IUPAC5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1O
InChIInChI=1S/C17H15N3O3/c1-23-15-8-6-11(10-14(15)22)7-9-16-18-17(20-19-16)12-4-2-3-5-13(12)21/h2-10,21-22H,1H3,(H,18,19,20)/b9-7+
InChIKeyTXXAAALLOXKZEI-VQHVLOKHSA-N
MW309.33 g/mol
LogP3.06
Rot. Bonds4

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

5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol (PubChem CID 5293867) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol
PubChem CID5293867
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1O
InChIInChI=1S/C17H15N3O3/c1-23-15-8-6-11(10-14(15)22)7-9-16-18-17(20-19-16)12-4-2-3-5-13(12)21/h2-10,21-22H,1H3,(H,18,19,20)/b9-7+
InChIKeyTXXAAALLOXKZEI-VQHVLOKHSA-N
XLogP3.06
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[2-(4-chlorophenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 2952229
[4-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]phenyl] acetate
CID 135590193
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2-methoxy-5-[(E)-2-naphthalen-2-ylethenyl]phenol
CID 11231216
2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol
CID 3611136
2-[5-[2-(5-methylfuran-2-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 2953442
2-methoxy-5-(2-pyridin-4-ylethenyl)phenol
CID 54474523
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
2-[5-[(E)-2-(1-methylindol-3-yl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
CID 5294061
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
2-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid
CID 4779971
5-but-1-enyl-2-methoxyphenol
CID 154188368

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol?
The IUPAC name of 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol (CID 5293867) is 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol?
The canonical SMILES for 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol is COc1ccc(/C=C/c2nc(-c3ccccc3O)n[nH]2)cc1O.
What is the InChIKey of 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol?
The InChIKey is TXXAAALLOXKZEI-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-15-8-6-11(10-14(15)22)7-9-16-18-17(20-19-16)12-4-2-3-5-13(12)21/h2-10,21-22H,1H3,(H,18,19,20)/b9-7+.
What are the key properties of 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol?
5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol has a molecular weight of 309.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[3-(2-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]ethenyl]-2-methoxyphenol is sourced from PubChem (CID 5293867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).