4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one

C17H19NO — CID 66448415

IUPAC4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
SMILESCc1cccc(CCC(=O)Cc2ncccc2C)c1
InChIInChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)8-9-16(19)12-17-14(2)6-4-10-18-17/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCUHIFFCBIAALOB-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.44
Rot. Bonds5

About 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one

4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one (PubChem CID 66448415) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
PubChem CID66448415
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
SMILESCc1cccc(CCC(=O)Cc2ncccc2C)c1
InChIInChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)8-9-16(19)12-17-14(2)6-4-10-18-17/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyCUHIFFCBIAALOB-UHFFFAOYSA-N
XLogP3.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylphenyl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 105118053
4-(2-methylphenyl)-1-(3-methylphenyl)butan-2-one
CID 55067851
1-(3-methyl-2-pyridinyl)decan-2-one
CID 66447638
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-one
CID 105107735
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725
2-[2-(3-methylphenyl)ethyl]pyridin-3-amine
CID 112716961
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
4-(3-methylphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 105112161
1-(3-methylphenyl)hept-6-en-3-one
CID 105104547
N-methyl-3-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 18338468
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one?
The IUPAC name of 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one (CID 66448415) is 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one.
What is the SMILES notation for 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one?
The canonical SMILES for 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one is Cc1cccc(CCC(=O)Cc2ncccc2C)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one?
The InChIKey is CUHIFFCBIAALOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)8-9-16(19)12-17-14(2)6-4-10-18-17/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one?
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one has a molecular weight of 253.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 66448415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).