1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone

C15H16OS — CID 61053848

IUPAC1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
SMILESCC(C)c1ccc(C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C15H16OS/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-17-10-12/h3-8,10-11H,9H2,1-2H3
InChIKeyGEODFEULBTVBIM-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone

1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone (PubChem CID 61053848) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
PubChem CID61053848
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
SMILESCC(C)c1ccc(C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C15H16OS/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-17-10-12/h3-8,10-11H,9H2,1-2H3
InChIKeyGEODFEULBTVBIM-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone 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-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
CID 173247446
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
CID 116548804
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
1-(5-methyl-3-pyridinyl)-2-thiophen-3-ylethanone
CID 105091097
(E)-5-(4-propan-2-ylphenyl)-5-thiophen-3-ylpent-4-enoic acid
CID 70276452

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone (CID 61053848) is 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone is CC(C)c1ccc(C(=O)Cc2ccsc2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone?
The InChIKey is GEODFEULBTVBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-17-10-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone?
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone has a molecular weight of 244.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 61053848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).