1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone

C15H15ClO2S — CID 43413871

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClO2S/c1-10(2)11-5-3-4-6-13(11)18-9-12(17)14-7-8-15(16)19-14/h3-8,10H,9H2,1-2H3
InChIKeyJBSWSBXHYDBQJT-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.79
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 43413871) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID43413871
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClO2S/c1-10(2)11-5-3-4-6-13(11)18-9-12(17)14-7-8-15(16)19-14/h3-8,10H,9H2,1-2H3
InChIKeyJBSWSBXHYDBQJT-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)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

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
(2-chlorophenyl) 2-(2-propan-2-ylphenoxy)acetate
CID 19179422
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
2-(1-bromonaphthalen-2-yl)oxy-1-(5-chlorothiophen-2-yl)ethanone
CID 60623247
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 60625222
1-(5-chlorothiophen-2-yl)-2-(2-methylpentoxy)ethanone
CID 103284397
2-(4-bromo-2-chlorophenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 60624989
2-(2-tert-butyl-4-methylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 43425728
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone (CID 43413871) is 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is JBSWSBXHYDBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-10(2)11-5-3-4-6-13(11)18-9-12(17)14-7-8-15(16)19-14/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 294.80 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43413871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).