(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone

C23H19N3O — CID 132537682

IUPAC(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone
SMILESCc1ccc(-n2cc(-c3ccccc3C(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C23H19N3O/c1-16-10-12-19(13-11-16)26-15-22(24-25-26)20-8-3-4-9-21(20)23(27)18-7-5-6-17(2)14-18/h3-15H,1-2H3
InChIKeyNMOYIOJKJLBQEY-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.78
Rot. Bonds4

About (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone

(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone (PubChem CID 132537682) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone
PubChem CID132537682
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone
SMILESCc1ccc(-n2cc(-c3ccccc3C(=O)c3cccc(C)c3)nn2)cc1
InChIInChI=1S/C23H19N3O/c1-16-10-12-19(13-11-16)26-15-22(24-25-26)20-8-3-4-9-21(20)23(27)18-7-5-6-17(2)14-18/h3-15H,1-2H3
InChIKeyNMOYIOJKJLBQEY-UHFFFAOYSA-N
XLogP4.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
[2-[1-(3-bromophenyl)triazol-4-yl]phenyl] 4-methylbenzoate
CID 174972474
2-[1-(3-methylphenyl)triazol-4-yl]pyridine-4-carboxylic acid
CID 122191456
2-(3-methylbenzoyl)benzoic acid
CID 2801746
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
bis(3-methylphenyl)methanone
CID 17848
3-[1-(4-carboxyphenyl)triazol-4-yl]benzoic acid
CID 166434559
4-[1-(4-methylphenyl)triazol-4-yl]phenol
CID 160861488
1-(4-methylphenyl)triazole-4-carbonyl chloride
CID 71320958
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone?
The IUPAC name of (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone (CID 132537682) is (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone?
The canonical SMILES for (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone is Cc1ccc(-n2cc(-c3ccccc3C(=O)c3cccc(C)c3)nn2)cc1.
What is the InChIKey of (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone?
The InChIKey is NMOYIOJKJLBQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-10-12-19(13-11-16)26-15-22(24-25-26)20-8-3-4-9-21(20)23(27)18-7-5-6-17(2)14-18/h3-15H,1-2H3.
What are the key properties of (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone?
(3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone has a molecular weight of 353.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[2-[1-(4-methylphenyl)triazol-4-yl]phenyl]methanone is sourced from PubChem (CID 132537682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).