(2R)-2-(1-benzothiophen-2-yl)propanoate

C11H9O2S- — CID 7230612

IUPAC(2R)-2-(1-benzothiophen-2-yl)propanoate
SMILESC[C@H](C(=O)[O-])c1cc2ccccc2s1
InChIInChI=1S/C11H10O2S/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)/p-1/t7-/m0/s1
InChIKeyRANJWIAFZYZATR-ZETCQYMHSA-M
MW205.26 g/mol
LogP1.75
Rot. Bonds2

About (2R)-2-(1-benzothiophen-2-yl)propanoate

(2R)-2-(1-benzothiophen-2-yl)propanoate (PubChem CID 7230612) has the molecular formula C11H9O2S- and a molecular weight of 205.26 g/mol. Its IUPAC name is (2R)-2-(1-benzothiophen-2-yl)propanoate.

Molecular Properties

Compound Name(2R)-2-(1-benzothiophen-2-yl)propanoate
PubChem CID7230612
Molecular FormulaC11H9O2S-
Molecular Weight205.26 g/mol
Exact Mass205.03
IUPAC Name(2R)-2-(1-benzothiophen-2-yl)propanoate
SMILESC[C@H](C(=O)[O-])c1cc2ccccc2s1
InChIInChI=1S/C11H10O2S/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)/p-1/t7-/m0/s1
InChIKeyRANJWIAFZYZATR-ZETCQYMHSA-M
XLogP1.75
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-but-2-ene;ethane;2-[(E)-3-nitropent-3-en-2-yl]-1-benzothiophene
CID 144848279
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)ethyl-(hydroxycarbamoyl)-dioxidoazanium
CID 87984990
1-(1-benzothiophen-2-yl)-N-hydroxy-N-(hydroxycarbamoyl)ethanamine oxide
CID 87984991
1-(1-benzothiophen-2-yl)-3-methylbutan-1-ol
CID 114976256
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
potassium;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea;hydride
CID 173208047
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617
2-[1-(1-benzothiophen-2-yl)ethylamino]benzoic acid
CID 114909694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzothiophen-2-yl)propanoate?
The IUPAC name of (2R)-2-(1-benzothiophen-2-yl)propanoate (CID 7230612) is (2R)-2-(1-benzothiophen-2-yl)propanoate.
What is the SMILES notation for (2R)-2-(1-benzothiophen-2-yl)propanoate?
The canonical SMILES for (2R)-2-(1-benzothiophen-2-yl)propanoate is C[C@H](C(=O)[O-])c1cc2ccccc2s1.
What is the InChIKey of (2R)-2-(1-benzothiophen-2-yl)propanoate?
The InChIKey is RANJWIAFZYZATR-ZETCQYMHSA-M. The full InChI is InChI=1S/C11H10O2S/c1-7(11(12)13)10-6-8-4-2-3-5-9(8)14-10/h2-7H,1H3,(H,12,13)/p-1/t7-/m0/s1.
What are the key properties of (2R)-2-(1-benzothiophen-2-yl)propanoate?
(2R)-2-(1-benzothiophen-2-yl)propanoate has a molecular weight of 205.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzothiophen-2-yl)propanoate is sourced from PubChem (CID 7230612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).