2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid

C10H8O3S — CID 27808

IUPAC2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1csc2ccc(O)cc12
InChIInChI=1S/C10H8O3S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyCCOMWPYUTGGGJR-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.23
Rot. Bonds2

About 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid

2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid (PubChem CID 27808) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
PubChem CID27808
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)Cc1csc2ccc(O)cc12
InChIInChI=1S/C10H8O3S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyCCOMWPYUTGGGJR-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzothiophen-5-ol
CID 117120749
2-[3-(hydroxymethyl)-1-benzothiophen-5-yl]acetic acid
CID 174463090
2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
CID 130274825
3-[(cyclopropylamino)methyl]-1-benzothiophen-5-ol
CID 117174646
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
2-(5-hydroxy-1,2-benzothiazol-3-yl)acetic acid
CID 82611963
3-[(4-chlorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174755
1-[2-(5-hydroxy-1-benzothiophen-3-yl)ethyl]-3-prop-2-enylurea
CID 18360687
3-[(3-fluorophenoxy)methyl]-1-benzothiophen-5-ol
CID 117174734
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
3-(5-phenylmethoxy-1-benzothiophen-3-yl)propanoic acid
CID 19696816
(5-chloro-1-benzothiophen-3-yl)methylcarbamic acid
CID 23072664

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid (CID 27808) is 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid is O=C(O)Cc1csc2ccc(O)cc12.
What is the InChIKey of 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid?
The InChIKey is CCOMWPYUTGGGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5,11H,3H2,(H,12,13).
What are the key properties of 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid?
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid has a molecular weight of 208.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 27808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).