1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone

C16H17ClO2S — CID 60625222

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)s2)cc(C(C)C)c1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-6-11(3)7-13(8-12)19-9-14(18)15-4-5-16(17)20-15/h4-8,10H,9H2,1-3H3
InChIKeyGFDJMDCCNHEZRJ-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.10
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone

1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 60625222) has the molecular formula C16H17ClO2S and a molecular weight of 308.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
PubChem CID60625222
Molecular FormulaC16H17ClO2S
Molecular Weight308.83 g/mol
Exact Mass308.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)s2)cc(C(C)C)c1
InChIInChI=1S/C16H17ClO2S/c1-10(2)12-6-11(3)7-13(8-12)19-9-14(18)15-4-5-16(17)20-15/h4-8,10H,9H2,1-3H3
InChIKeyGFDJMDCCNHEZRJ-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 107725167
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
2-[(5-chloro-3-pyridinyl)oxy]-1-(5-chlorothiophen-2-yl)ethanone
CID 64600227
2-(2-tert-butyl-4-methylphenoxy)-1-(5-chlorothiophen-2-yl)ethanone
CID 43425728
1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
CID 62034166
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]benzamide
CID 60773208
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220
3-[2-(5-chlorothiophen-2-yl)-2-oxoethoxy]-4-methylbenzonitrile
CID 113256525
1-(2,5-dimethylthiophen-3-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612546

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone (CID 60625222) is 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone is Cc1cc(OCC(=O)c2ccc(Cl)s2)cc(C(C)C)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The InChIKey is GFDJMDCCNHEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2S/c1-10(2)12-6-11(3)7-13(8-12)19-9-14(18)15-4-5-16(17)20-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 308.83 g/mol, XLogP of 5.10, 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-(3-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 60625222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).