1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one

C22H28O — CID 4300179

IUPAC1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(C(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C22H28O/c1-15(2)20(17-9-7-16(3)8-10-17)21(23)18-11-13-19(14-12-18)22(4,5)6/h7-15,20H,1-6H3
InChIKeyCPSLHLCCHLNQGI-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.92
Rot. Bonds4

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

1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one (PubChem CID 4300179) has the molecular formula C22H28O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one
PubChem CID4300179
Molecular FormulaC22H28O
Molecular Weight308.47 g/mol
Exact Mass308.21
IUPAC Name1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(C(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1
InChIInChI=1S/C22H28O/c1-15(2)20(17-9-7-16(3)8-10-17)21(23)18-11-13-19(14-12-18)22(4,5)6/h7-15,20H,1-6H3
InChIKeyCPSLHLCCHLNQGI-UHFFFAOYSA-N
XLogP5.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-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

1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
2-bromo-1-(4-tert-butylphenyl)propan-1-one
CID 43144127
[3,5-bis(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 118357502
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]carbamic acid
CID 141043389
1-tert-butyl-4-methylbenzene
CID 163486601
1-(4-tert-butylphenyl)-2-(methylamino)propan-1-one
CID 82100647
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one (CID 4300179) is 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one is Cc1ccc(C(C(=O)c2ccc(C(C)(C)C)cc2)C(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one?
The InChIKey is CPSLHLCCHLNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O/c1-15(2)20(17-9-7-16(3)8-10-17)21(23)18-11-13-19(14-12-18)22(4,5)6/h7-15,20H,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one?
1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one has a molecular weight of 308.47 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methyl-2-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 4300179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).