ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate

C13H14O3S — CID 23074478

IUPACethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(O)ccc2s1
InChIInChI=1S/C13H14O3S/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeySEFCLQSSFPLOGO-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.10
Rot. Bonds4

About ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate

ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate (PubChem CID 23074478) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate
PubChem CID23074478
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Nameethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate
SMILESCCOC(=O)CCc1cc2cc(O)ccc2s1
InChIInChI=1S/C13H14O3S/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3
InChIKeySEFCLQSSFPLOGO-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(5,6-dimethoxy-1-benzothiophen-2-yl)propanoate
CID 67872799
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
ethyl 2-[(5-hydroxy-1-benzothiophen-2-yl)methylsulfanyl]-2-methylpropanoate
CID 68831548
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
5-hydroxy-1-benzothiophene-2-carbohydrazide
CID 119094070
ethyl 3-(5-hydroxyindol-1-yl)propanoate
CID 24971969
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
2-(2-aminoethyl)-1-benzothiophen-6-ol
CID 82605292
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate?
The IUPAC name of ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate (CID 23074478) is ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate?
The canonical SMILES for ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate is CCOC(=O)CCc1cc2cc(O)ccc2s1.
What is the InChIKey of ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate?
The InChIKey is SEFCLQSSFPLOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-2-16-13(15)6-4-11-8-9-7-10(14)3-5-12(9)17-11/h3,5,7-8,14H,2,4,6H2,1H3.
What are the key properties of ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate?
ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate has a molecular weight of 250.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-hydroxy-1-benzothiophen-2-yl)propanoate is sourced from PubChem (CID 23074478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).