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

C18H22O2S — CID 63567450

IUPAC1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2cc(C)cc(C(C)C)c2)s1
InChIInChI=1S/C18H22O2S/c1-5-16-6-7-18(21-16)17(19)11-20-15-9-13(4)8-14(10-15)12(2)3/h6-10,12H,5,11H2,1-4H3
InChIKeyQKVNLKMLGHITBZ-UHFFFAOYSA-N
MW302.44 g/mol
LogP5.00
Rot. Bonds6

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

1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone (PubChem CID 63567450) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
PubChem CID63567450
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2cc(C)cc(C(C)C)c2)s1
InChIInChI=1S/C18H22O2S/c1-5-16-6-7-18(21-16)17(19)11-20-15-9-13(4)8-14(10-15)12(2)3/h6-10,12H,5,11H2,1-4H3
InChIKeyQKVNLKMLGHITBZ-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 60625222
1-(5-ethylthiophen-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567064
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43411964
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
1-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropan-2-one
CID 62034166
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
2-(3-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612220

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone (CID 63567450) is 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone is CCc1ccc(C(=O)COc2cc(C)cc(C(C)C)c2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
The InChIKey is QKVNLKMLGHITBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-5-16-6-7-18(21-16)17(19)11-20-15-9-13(4)8-14(10-15)12(2)3/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone has a molecular weight of 302.44 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 63567450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).