2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid

C11H10O4S — CID 115072407

IUPAC2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid
SMILESCOc1cccc2cc(C(O)C(=O)O)sc12
InChIInChI=1S/C11H10O4S/c1-15-7-4-2-3-6-5-8(16-10(6)7)9(12)11(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyUTOAXQDWHJDHAR-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.03
Rot. Bonds3

About 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid

2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid (PubChem CID 115072407) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid
PubChem CID115072407
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid
SMILESCOc1cccc2cc(C(O)C(=O)O)sc12
InChIInChI=1S/C11H10O4S/c1-15-7-4-2-3-6-5-8(16-10(6)7)9(12)11(13)14/h2-5,9,12H,1H3,(H,13,14)
InChIKeyUTOAXQDWHJDHAR-UHFFFAOYSA-N
XLogP2.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(7-methoxy-1-benzothiophen-2-yl)acetate
CID 115072405
2-(7-methoxy-1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117197093
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
7-(2-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 90141254
2-isocyanato-7-methoxy-1-benzothiophene
CID 83819844
2-hydroxy-2-(3-methoxy-2-propan-2-yloxyphenyl)acetic acid
CID 117352972
7-methoxy-1-benzothiophene-2-carboximidamide
CID 83677734
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-2-hydroxyacetic acid
CID 117409616
4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-hydroxy-2-methylbutanoic acid
CID 146812970
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid (CID 115072407) is 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid is COc1cccc2cc(C(O)C(=O)O)sc12.
What is the InChIKey of 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid?
The InChIKey is UTOAXQDWHJDHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-15-7-4-2-3-6-5-8(16-10(6)7)9(12)11(13)14/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid?
2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(7-methoxy-1-benzothiophen-2-yl)acetic acid is sourced from PubChem (CID 115072407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).