3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one

C17H18O — CID 24725664

IUPAC3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(C)c2)cc1
InChIInChI=1S/C17H18O/c1-13-6-9-16(10-7-13)17(18)11-8-15-5-3-4-14(2)12-15/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyWBHRBPUNRKJJEX-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.12
Rot. Bonds4

About 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one

3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one (PubChem CID 24725664) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
PubChem CID24725664
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cccc(C)c2)cc1
InChIInChI=1S/C17H18O/c1-13-6-9-16(10-7-13)17(18)11-8-15-5-3-4-14(2)12-15/h3-7,9-10,12H,8,11H2,1-2H3
InChIKeyWBHRBPUNRKJJEX-UHFFFAOYSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-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

3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449
1-(3-chlorophenyl)-3-(3-methylphenyl)propan-1-one
CID 24725678
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725694
1-(4-methylphenyl)-3-[3-(2-methylpropoxy)phenyl]propan-1-one
CID 82185645
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
3-(3-methylphenyl)-1-quinolin-3-ylpropan-1-one
CID 105081061
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-1-one
CID 105093699

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one (CID 24725664) is 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCc2cccc(C)c2)cc1.
What is the InChIKey of 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is WBHRBPUNRKJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13-6-9-16(10-7-13)17(18)11-8-15-5-3-4-14(2)12-15/h3-7,9-10,12H,8,11H2,1-2H3.
What are the key properties of 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one?
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 238.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 24725664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).