2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid

C10H8O4S — CID 130274825

IUPAC2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1csc2cc(O)cc(O)c12
InChIInChI=1S/C10H8O4S/c11-6-2-7(12)10-5(1-9(13)14)4-15-8(10)3-6/h2-4,11-12H,1H2,(H,13,14)
InChIKeySEWBYJSYHZEWCG-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.94
Rot. Bonds2

About 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid

2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid (PubChem CID 130274825) has the molecular formula C10H8O4S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
PubChem CID130274825
Molecular FormulaC10H8O4S
Molecular Weight224.24 g/mol
Exact Mass224.01
IUPAC Name2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1csc2cc(O)cc(O)c12
InChIInChI=1S/C10H8O4S/c11-6-2-7(12)10-5(1-9(13)14)4-15-8(10)3-6/h2-4,11-12H,1H2,(H,13,14)
InChIKeySEWBYJSYHZEWCG-UHFFFAOYSA-N
XLogP1.94
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
CID 27808
methyl 2-(4-chloro-6-hydroxy-1-benzothiophen-3-yl)acetate
CID 20770824
2-[6-[[1,3-dimethyl-4-(trifluoromethyl)-2H-pyridin-6-yl]methoxy]-4-hydroxy-1-benzothiophen-3-yl]acetic acid
CID 123281921
2-[3-(hydroxymethyl)-1-benzothiophen-5-yl]acetic acid
CID 174463090
4-bromo-3-(bromomethyl)-1-benzothiophen-6-ol
CID 131145133
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
CID 24972403
2-(4-hydroxythiophen-2-yl)acetic acid
CID 119087803
2-(3,4-dihydroxy-1-benzothiophen-7-yl)acetic acid
CID 91292281
methyl 2-[6-[(2,6-dimethyl-3-pyridinyl)methoxy]-4-hydroxy-1-benzothiophen-3-yl]acetate
CID 123497165
4-ethyl-6-fluoro-1-benzothiophen-3-ol
CID 130826695
2-[6-[(2,4-dichlorophenyl)methoxy]-4-methyl-1-benzothiophen-3-yl]acetic acid
CID 118656147
2-(3,5-dimethyl-1-benzothiophen-4-yl)acetic acid
CID 91881999

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid (CID 130274825) is 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid is O=C(O)Cc1csc2cc(O)cc(O)c12.
What is the InChIKey of 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid?
The InChIKey is SEWBYJSYHZEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S/c11-6-2-7(12)10-5(1-9(13)14)4-15-8(10)3-6/h2-4,11-12H,1H2,(H,13,14).
What are the key properties of 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid?
2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid has a molecular weight of 224.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 130274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).