[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone

C23H19N3O2 — CID 132537693

IUPAC[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-16-8-10-18(11-9-16)26-15-22(24-25-26)20-13-12-19(28-2)14-21(20)23(27)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyFTYOLOHJUSDONH-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.48
Rot. Bonds5

About [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone

[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone (PubChem CID 132537693) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone
PubChem CID132537693
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)nn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c1-16-8-10-18(11-9-16)26-15-22(24-25-26)20-13-12-19(28-2)14-21(20)23(27)17-6-4-3-5-7-17/h3-15H,1-2H3
InChIKeyFTYOLOHJUSDONH-UHFFFAOYSA-N
XLogP4.48
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[4-(2-Fluoro-5-methoxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834055
3-[1-[4-(3-Methoxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834056
3-[1-[4-(3,5-Dimethoxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834062
3-[1-[4-(2,3-Dimethoxyphenyl)phenyl]triazol-4-yl]benzoic acid
CID 156834102
3-[4-[4-(2-Fluoro-5-methoxyphenyl)phenyl]triazol-1-yl]benzoic acid
CID 156834106
3-methoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 3288452
2-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]anthracene-9,10-dione
CID 24789335
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793586
3-(1-(3-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylpropan-1-one
CID 46890308
3-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-1-phenylpropan-1-one
CID 46890309
1-(3-methoxyphenyl)-3-(1-phenyl-1H-tetrazol-5-yl)propan-1-one
CID 46890426
3-[4-(4-methoxyphenyl)triazol-1-yl]-2,2-dimethyl-3H-benzo[g][1]benzofuran-4,5-dione
CID 60143789

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone?
The IUPAC name of [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone (CID 132537693) is [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone.
What is the SMILES notation for [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone?
The canonical SMILES for [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone is COc1ccc(-c2cn(-c3ccc(C)cc3)nn2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone?
The InChIKey is FTYOLOHJUSDONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16-8-10-18(11-9-16)26-15-22(24-25-26)20-13-12-19(28-2)14-21(20)23(27)17-6-4-3-5-7-17/h3-15H,1-2H3.
What are the key properties of [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone?
[5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone has a molecular weight of 369.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-[1-(4-methylphenyl)triazol-4-yl]phenyl]-phenylmethanone is sourced from PubChem (CID 132537693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).