2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

C11H11ClO2S — CID 83912755

IUPAC2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESCC1Sc2c(Cl)cccc2C1CC(=O)O
InChIInChI=1S/C11H11ClO2S/c1-6-8(5-10(13)14)7-3-2-4-9(12)11(7)15-6/h2-4,6,8H,5H2,1H3,(H,13,14)
InChIKeyLJRQPUBIKHYLND-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.39
Rot. Bonds2

About 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (PubChem CID 83912755) has the molecular formula C11H11ClO2S and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
PubChem CID83912755
Molecular FormulaC11H11ClO2S
Molecular Weight242.73 g/mol
Exact Mass242.02
IUPAC Name2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESCC1Sc2c(Cl)cccc2C1CC(=O)O
InChIInChI=1S/C11H11ClO2S/c1-6-8(5-10(13)14)7-3-2-4-9(12)11(7)15-6/h2-4,6,8H,5H2,1H3,(H,13,14)
InChIKeyLJRQPUBIKHYLND-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83909910
2-(5-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazin-2-yl)acetic acid
CID 84641689
2-(4-chloro-5-methyl-9H-fluoren-9-yl)acetic acid
CID 82578915
2-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-4-yl]acetic acid
CID 139440669
(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83908067
2-(2-methyl-7-propyl-2,3-dihydro-1H-indol-3-yl)acetic acid
CID 117110519
1-(2,7-dimethyl-2,3-dihydro-1-benzothiophen-3-yl)-N-methylmethanamine
CID 83909129
7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83048836
7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 83909743
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
2-(9-chloro-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid
CID 14578876
2-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-4-yl)acetic acid
CID 84635031

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (CID 83912755) is 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is CC1Sc2c(Cl)cccc2C1CC(=O)O.
What is the InChIKey of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The InChIKey is LJRQPUBIKHYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S/c1-6-8(5-10(13)14)7-3-2-4-9(12)11(7)15-6/h2-4,6,8H,5H2,1H3,(H,13,14).
What are the key properties of 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid has a molecular weight of 242.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 83912755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).