ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate

C12H14O2S — CID 19081469

IUPACethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
SMILESCCOC(=O)CC1CSc2ccccc21
InChIInChI=1S/C12H14O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,9H,2,7-8H2,1H3
InChIKeyHCBOLGKVPOFYGL-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate

ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate (PubChem CID 19081469) has the molecular formula C12H14O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
PubChem CID19081469
Molecular FormulaC12H14O2S
Molecular Weight222.31 g/mol
Exact Mass222.07
IUPAC Nameethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate
SMILESCCOC(=O)CC1CSc2ccccc21
InChIInChI=1S/C12H14O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,9H,2,7-8H2,1H3
InChIKeyHCBOLGKVPOFYGL-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanoate
CID 79220753
ethyl 4-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)butanoate
CID 79220941
ethyl 2-[cyclopropyl(2,3-dihydro-1-benzothiophen-3-ylmethyl)amino]acetate
CID 79221523
ethyl 2-amino-3-(2,3-dihydro-1-benzothiophen-3-yl)propanoate
CID 79220875
ethyl 2-[4-oxo-5-(2-phenylethyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]acetate
CID 139775461
3-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)-2,2-dimethylpropanamide
CID 114167217
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
ethyl 1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)piperidine-3-carboxylate
CID 79214896
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
lithium;(1S)-1,1a,2,7b-tetrahydrocyclopropa[c]thiochromene-1-carboxylic acid;ethyl (1S)-1,1a,2,7b-tetrahydrocyclopropa[c]thiochromene-1-carboxylate;hydroxide
CID 159432718
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]-N,N-diethylacetamide
CID 79315662

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate?
The IUPAC name of ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate (CID 19081469) is ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate is CCOC(=O)CC1CSc2ccccc21.
What is the InChIKey of ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate?
The InChIKey is HCBOLGKVPOFYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2S/c1-2-14-12(13)7-9-8-15-11-6-4-3-5-10(9)11/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate?
ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate has a molecular weight of 222.31 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydro-1-benzothiophen-3-yl)acetate is sourced from PubChem (CID 19081469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).