1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone

C17H20O2S — CID 62033111

IUPAC1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
SMILESCC(C)c1ccc(C(=O)COCCc2cccs2)cc1
InChIInChI=1S/C17H20O2S/c1-13(2)14-5-7-15(8-6-14)17(18)12-19-10-9-16-4-3-11-20-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyJLNMOCLHXNEAPL-UHFFFAOYSA-N
MW288.41 g/mol
LogP4.31
Rot. Bonds7

About 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone

1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone (PubChem CID 62033111) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
PubChem CID62033111
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
SMILESCC(C)c1ccc(C(=O)COCCc2cccs2)cc1
InChIInChI=1S/C17H20O2S/c1-13(2)14-5-7-15(8-6-14)17(18)12-19-10-9-16-4-3-11-20-16/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyJLNMOCLHXNEAPL-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
1-(5-methylthiophen-2-yl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033658
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
3-methyl-4-(2-thiophen-2-ylethoxy)but-2-enoic acid
CID 76974991
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 118408210
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
N-(oxolan-2-ylmethyl)-4-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 55438197

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone?
The IUPAC name of 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone (CID 62033111) is 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone is CC(C)c1ccc(C(=O)COCCc2cccs2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone?
The InChIKey is JLNMOCLHXNEAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c1-13(2)14-5-7-15(8-6-14)17(18)12-19-10-9-16-4-3-11-20-16/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone?
1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone has a molecular weight of 288.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone is sourced from PubChem (CID 62033111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).