2-(2-ethyl-1-benzothiophen-6-yl)acetic acid

C12H12O2S — CID 84685867

IUPAC2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
SMILESCCc1cc2ccc(CC(=O)O)cc2s1
InChIInChI=1S/C12H12O2S/c1-2-10-7-9-4-3-8(6-12(13)14)5-11(9)15-10/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyPSSLYKAINCQDQC-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid

2-(2-ethyl-1-benzothiophen-6-yl)acetic acid (PubChem CID 84685867) has the molecular formula C12H12O2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
PubChem CID84685867
Molecular FormulaC12H12O2S
Molecular Weight220.29 g/mol
Exact Mass220.06
IUPAC Name2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
SMILESCCc1cc2ccc(CC(=O)O)cc2s1
InChIInChI=1S/C12H12O2S/c1-2-10-7-9-4-3-8(6-12(13)14)5-11(9)15-10/h3-5,7H,2,6H2,1H3,(H,13,14)
InChIKeyPSSLYKAINCQDQC-UHFFFAOYSA-N
XLogP3.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2-[4-[(5-ethylthiophen-2-yl)methylsulfanyl]phenyl]acetic acid
CID 64926971
2-(2-propyl-1-benzofuran-6-yl)acetic acid
CID 70578535
2-(2,3-dimethyl-1-benzothiophen-6-yl)acetic acid
CID 600423
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
2-[3-[[(5-ethylthiophen-2-yl)methylamino]methyl]phenyl]acetic acid
CID 22246758
CID 173442082
CID 173442082
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
1-(6-bromo-1-benzothiophen-2-yl)propan-2-one
CID 82625430

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid (CID 84685867) is 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid is CCc1cc2ccc(CC(=O)O)cc2s1.
What is the InChIKey of 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid?
The InChIKey is PSSLYKAINCQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S/c1-2-10-7-9-4-3-8(6-12(13)14)5-11(9)15-10/h3-5,7H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid?
2-(2-ethyl-1-benzothiophen-6-yl)acetic acid has a molecular weight of 220.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-benzothiophen-6-yl)acetic acid is sourced from PubChem (CID 84685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).