2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

C24H21N3O3 — CID 135419131

IUPAC2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-29-21-14-12-17(16-22(21)30-2)13-15-23-25-24(19-10-6-7-11-20(19)28)27(26-23)18-8-4-3-5-9-18/h3-16,28H,1-2H3/b15-13+
InChIKeyNPCBRHWKTKGKNJ-FYWRMAATSA-N
MW399.45 g/mol
LogP4.83
Rot. Bonds6

About 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol

2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 135419131) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID135419131
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCOc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-29-21-14-12-17(16-22(21)30-2)13-15-23-25-24(19-10-6-7-11-20(19)28)27(26-23)18-8-4-3-5-9-18/h3-16,28H,1-2H3/b15-13+
InChIKeyNPCBRHWKTKGKNJ-FYWRMAATSA-N
XLogP4.83
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol with MolForge

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Related Compounds

4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]-2-methoxyphenol
CID 135648327
2-[5-[2-(4-hydroxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol
CID 2928775
4-[(E)-2-[5-(2-hydroxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]ethenyl]benzene-1,3-diol
CID 135419130
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5,7-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzodiazepin-6-one
CID 135590303
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-(2-phenyl-5-propyl-1,2,4-triazol-3-yl)phenol
CID 877391
diethyl-[2-[5-(2-hydroxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-triazol-1-yl]ethyl]azanium chloride
CID 135842658
2-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2-morpholin-4-ium-4-ylethyl)-1,2,4-triazol-3-yl]phenol
CID 135813812
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-fluorobenzene-1,3-diol
CID 72723769
5-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
CID 5386528

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol (CID 135419131) is 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccccc3)n2)cc1OC.
What is the InChIKey of 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is NPCBRHWKTKGKNJ-FYWRMAATSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-21-14-12-17(16-22(21)30-2)13-15-23-25-24(19-10-6-7-11-20(19)28)27(26-23)18-8-4-3-5-9-18/h3-16,28H,1-2H3/b15-13+.
What are the key properties of 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 399.45 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135419131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).