5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid

C21H15N3O3 — CID 174218489

IUPAC5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C21H15N3O3/c25-21(26)20-19(22-24-23-20)17-12-11-15(14-7-3-1-4-8-14)13-18(17)27-16-9-5-2-6-10-16/h1-13H,(H,25,26)(H,22,23,24)
InChIKeyJOTICYXXWXZCKM-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.63
Rot. Bonds5

About 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid

5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid (PubChem CID 174218489) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
PubChem CID174218489
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Oc1ccccc1
InChIInChI=1S/C21H15N3O3/c25-21(26)20-19(22-24-23-20)17-12-11-15(14-7-3-1-4-8-14)13-18(17)27-16-9-5-2-6-10-16/h1-13H,(H,25,26)(H,22,23,24)
InChIKeyJOTICYXXWXZCKM-UHFFFAOYSA-N
XLogP4.63
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-acetamido-4-phenylphenyl)-2H-triazole-4-carboxylic acid
CID 174218443
ethyl 5-(4-fluoro-2-phenoxyphenyl)-2H-triazole-4-carboxylate
CID 169401950
2-phenoxy-4-phenylbenzoic acid
CID 139966972
5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
5-[3-(3,4-dichlorophenyl)phenyl]-2H-triazole-4-carboxylic acid
CID 155250572
ethyl 5-[2-(4-fluorophenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399795
5-[2-(4-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxamide
CID 169404204
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
5-(3,4-dichlorophenyl)-2H-triazole-4-carboxylic acid
CID 83656916
ethyl 5-[2-(3-tert-butylphenoxy)phenyl]-2H-triazole-4-carboxylate
CID 169401331
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid (CID 174218489) is 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1-c1ccc(-c2ccccc2)cc1Oc1ccccc1.
What is the InChIKey of 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
The InChIKey is JOTICYXXWXZCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-21(26)20-19(22-24-23-20)17-12-11-15(14-7-3-1-4-8-14)13-18(17)27-16-9-5-2-6-10-16/h1-13H,(H,25,26)(H,22,23,24).
What are the key properties of 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid?
5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxy-4-phenylphenyl)-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 174218489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).