2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid

C13H14O3S — CID 142104664

IUPAC2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
SMILESCCc1sc2cccc(OCC(=O)O)c2c1C
InChIInChI=1S/C13H14O3S/c1-3-10-8(2)13-9(16-7-12(14)15)5-4-6-11(13)17-10/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeySFZKDMJUEJOMSE-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.24
Rot. Bonds4

About 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid

2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid (PubChem CID 142104664) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
PubChem CID142104664
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Name2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid
SMILESCCc1sc2cccc(OCC(=O)O)c2c1C
InChIInChI=1S/C13H14O3S/c1-3-10-8(2)13-9(16-7-12(14)15)5-4-6-11(13)17-10/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeySFZKDMJUEJOMSE-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
2-[2-ethyl-4-[2-(methylamino)-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
CID 21303411
2-(2-amino-3-methylphenoxy)acetic acid
CID 61261601
2-[2-ethyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethoxy]-1-benzothiophen-3-yl]-2-oxoacetamide
CID 10156515
(3-bromo-2-ethyl-1-benzothiophen-4-yl) acetate
CID 21303419
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
ethyl 4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 155577564
3-bromo-2-ethyl-1-benzothiophen-4-ol
CID 22737147
dimethyl (2R)-2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]butanedioate
CID 10114815
CID 131854846
CID 131854846
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid (CID 142104664) is 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid is CCc1sc2cccc(OCC(=O)O)c2c1C.
What is the InChIKey of 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid?
The InChIKey is SFZKDMJUEJOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-3-10-8(2)13-9(16-7-12(14)15)5-4-6-11(13)17-10/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid?
2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid has a molecular weight of 250.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3-methyl-1-benzothiophen-4-yl)oxy]acetic acid is sourced from PubChem (CID 142104664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).