2-hydroxy-5-thiophen-3-ylbenzoic acid

C11H8O3S — CID 4128464

IUPAC2-hydroxy-5-thiophen-3-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccsc2)ccc1O
InChIInChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
InChIKeyZGSXCSMJOZJLKM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.82
Rot. Bonds2

About 2-hydroxy-5-thiophen-3-ylbenzoic acid

2-hydroxy-5-thiophen-3-ylbenzoic acid (PubChem CID 4128464) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-hydroxy-5-thiophen-3-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-thiophen-3-ylbenzoic acid
PubChem CID4128464
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name2-hydroxy-5-thiophen-3-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccsc2)ccc1O
InChIInChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
InChIKeyZGSXCSMJOZJLKM-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Prifelone
CID 71751
2-Hydroxy-5-(2-thienyl)benzaldehyde
CID 828499
(4-Hydroxy-3,5-dimethyl-phenyl)-thiophen-2-yl-methanone
CID 14771930
(2-Hydroxyphenyl)(5-(3-hydroxyphenyl)thiophen-2-yl)methanone
CID 49840061
[5-(4-Hydroxy-3-methylphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840134
[5-(3-Ethyl-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840200
5W-0275
CID 5355846
(E)-1-(2,5-dihydroxyphenyl)-3-thiophen-3-ylprop-2-en-1-one
CID 10243642
3-(Thiophen-3-yl)benzoic acid
CID 4047610
Methyl 3-hydroxy-5-phenyl-2-thiophenecarboxylate
CID 54710750
3-(2,4-Dihydroxyphenyl)-1-(thiophen-2-yl)propenone (13)
CID 73291673
3-(4-Hydroxy-3,5-dimethyl-phenyl)-1-thiophen-2-yl-propenone
CID 14771932

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-thiophen-3-ylbenzoic acid?
The IUPAC name of 2-hydroxy-5-thiophen-3-ylbenzoic acid (CID 4128464) is 2-hydroxy-5-thiophen-3-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-thiophen-3-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-thiophen-3-ylbenzoic acid is O=C(O)c1cc(-c2ccsc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-thiophen-3-ylbenzoic acid?
The InChIKey is ZGSXCSMJOZJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14).
What are the key properties of 2-hydroxy-5-thiophen-3-ylbenzoic acid?
2-hydroxy-5-thiophen-3-ylbenzoic acid has a molecular weight of 220.25 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-thiophen-3-ylbenzoic acid is sourced from PubChem (CID 4128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).