2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

C14H13ClO2S — CID 60662425

IUPAC2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H13ClO2S/c1-9-6-13(10(2)18-9)14(16)8-17-12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3
InChIKeyYLXWMUUEBCQKSD-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.28
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 60662425) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID60662425
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)COc2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H13ClO2S/c1-9-6-13(10(2)18-9)14(16)8-17-12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3
InChIKeyYLXWMUUEBCQKSD-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(2-methylphenyl)ethanone
CID 60975454
1-(2,5-dimethylthiophen-3-yl)-2-[3-(methoxymethyl)phenoxy]ethanone
CID 63986786
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662304
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(4-benzoylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 7604377
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7604414
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 60662425) is 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)COc2cccc(Cl)c2)c(C)s1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is YLXWMUUEBCQKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9-6-13(10(2)18-9)14(16)8-17-12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 280.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 60662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).