1-(3-ethylthiophen-2-yl)-2-methoxyethanone

C9H12O2S — CID 115783314

IUPAC1-(3-ethylthiophen-2-yl)-2-methoxyethanone
SMILESCCc1ccsc1C(=O)COC
InChIInChI=1S/C9H12O2S/c1-3-7-4-5-12-9(7)8(10)6-11-2/h4-5H,3,6H2,1-2H3
InChIKeyKPPMOIGZEBEEOB-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.14
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-2-methoxyethanone

1-(3-ethylthiophen-2-yl)-2-methoxyethanone (PubChem CID 115783314) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-2-methoxyethanone
PubChem CID115783314
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1-(3-ethylthiophen-2-yl)-2-methoxyethanone
SMILESCCc1ccsc1C(=O)COC
InChIInChI=1S/C9H12O2S/c1-3-7-4-5-12-9(7)8(10)6-11-2/h4-5H,3,6H2,1-2H3
InChIKeyKPPMOIGZEBEEOB-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylthiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969994
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
1-(3-ethylthiophen-2-yl)-3-phenylpropan-1-one
CID 114962833
1-(3-ethylthiophen-2-yl)pent-4-yn-1-one
CID 114972763
3-ethyl-N-methylthiophene-2-carboxamide
CID 61341196
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanone
CID 114964644
3-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 54993258
3-ethyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 113351138
methyl 2-[(3-ethylthiophene-2-carbonyl)-methylamino]acetate
CID 55031912
2-[(3-ethylthiophene-2-carbonyl)amino]oxyacetic acid
CID 63913393
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
CID 10683132

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-2-methoxyethanone?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-2-methoxyethanone (CID 115783314) is 1-(3-ethylthiophen-2-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-2-methoxyethanone is CCc1ccsc1C(=O)COC.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-2-methoxyethanone?
The InChIKey is KPPMOIGZEBEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-7-4-5-12-9(7)8(10)6-11-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-2-methoxyethanone?
1-(3-ethylthiophen-2-yl)-2-methoxyethanone has a molecular weight of 184.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-2-methoxyethanone is sourced from PubChem (CID 115783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).