1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole

C21H17N3O — CID 59403245

IUPAC1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole
SMILESc1ccc(Oc2ccccc2-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C21H17N3O/c1-2-9-19(10-3-1)25-21-12-5-4-11-20(21)18-8-6-7-17(13-18)14-24-16-22-15-23-24/h1-13,15-16H,14H2
InChIKeyAQKAGWOUCCRTOM-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.79
Rot. Bonds5

About 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole

1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole (PubChem CID 59403245) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole
PubChem CID59403245
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole
SMILESc1ccc(Oc2ccccc2-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C21H17N3O/c1-2-9-19(10-3-1)25-21-12-5-4-11-20(21)18-8-6-7-17(13-18)14-24-16-22-15-23-24/h1-13,15-16H,14H2
InChIKeyAQKAGWOUCCRTOM-UHFFFAOYSA-N
XLogP4.79
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(bromomethyl)benzene;1-[(3-bromophenyl)methyl]-1,2,4-triazole;(2-phenoxyphenyl)boronic acid;1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 159279941
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
CID 23585776
1-[[3-(4-methoxyphenyl)phenyl]methyl]-1,2,4-triazole
CID 23585516
4-[3-(1,2,4-triazol-1-ylmethyl)phenyl]phenol
CID 23585512
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
3-phenyl-5-(1,2,4-triazol-1-ylmethyl)benzonitrile
CID 45141157
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
bis(2,5-bis[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole);cadmium(2+);diisothiocyanate
CID 139194301
N-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866198
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole (CID 59403245) is 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole is c1ccc(Oc2ccccc2-c2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole?
The InChIKey is AQKAGWOUCCRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-2-9-19(10-3-1)25-21-12-5-4-11-20(21)18-8-6-7-17(13-18)14-24-16-22-15-23-24/h1-13,15-16H,14H2.
What are the key properties of 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole?
1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole has a molecular weight of 327.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-phenoxyphenyl)phenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 59403245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).