7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid

C10H8O3S — CID 130987097

IUPAC7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2c(O)cccc2c1C(=O)O
InChIInChI=1S/C10H8O3S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-4,11H,1H3,(H,12,13)
InChIKeyMESWFEWMHITMFA-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.61
Rot. Bonds1

About 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid

7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid (PubChem CID 130987097) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid
PubChem CID130987097
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2c(O)cccc2c1C(=O)O
InChIInChI=1S/C10H8O3S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-4,11H,1H3,(H,12,13)
InChIKeyMESWFEWMHITMFA-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2-benzothiophene;2,5-dimethylthiophene-3,4-dicarboxylic acid
CID 159324203
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
CID 12839105
5-hydroxy-1H-[1]benzothiolo[3,2-b]pyrrole-2-carboxylic acid
CID 115007388
2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
2,3,4-trihydroxy-8-methylnaphthalene-1-carboxylic acid
CID 130295390
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
5-ethyl-2-methyl-1-benzothiophene-3-carboxylic acid
CID 84740317
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002
lithium;butane;6-ethyldibenzothiophen-4-ol
CID 87765195
2,3,5-trihydroxynaphthalene-1-carboxylic acid
CID 57055714
methylcarbamic acid;naphthalen-1-ol
CID 53442833
2-(2,7-dimethyl-1-benzothiophen-3-yl)propanoic acid
CID 83911925

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid (CID 130987097) is 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid is Cc1sc2c(O)cccc2c1C(=O)O.
What is the InChIKey of 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid?
The InChIKey is MESWFEWMHITMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-4,11H,1H3,(H,12,13).
What are the key properties of 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid?
7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 130987097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).