2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone

C20H24O — CID 114967852

IUPAC2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
SMILESCCc1ccccc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24O/c1-5-16-8-6-7-9-18(16)19(21)14-15-10-12-17(13-11-15)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyGVKNJSRHVMIFEK-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.97
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone

2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone (PubChem CID 114967852) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
PubChem CID114967852
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
SMILESCCc1ccccc1C(=O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H24O/c1-5-16-8-6-7-9-18(16)19(21)14-15-10-12-17(13-11-15)20(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyGVKNJSRHVMIFEK-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone 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

2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanone
CID 114963222
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(2-tert-butylphenyl)-2-(4-iodophenyl)ethanone
CID 114974201
2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 115736609
5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 146004431
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147
1-(2-ethylphenyl)-2-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylcarbonylsulfanylethanone
CID 155317146
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
CID 146006575
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone (CID 114967852) is 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone is CCc1ccccc1C(=O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone?
The InChIKey is GVKNJSRHVMIFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-5-16-8-6-7-9-18(16)19(21)14-15-10-12-17(13-11-15)20(2,3)4/h6-13H,5,14H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone?
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone is sourced from PubChem (CID 114967852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).