2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid

C12H8Cl2O3S — CID 43167368

IUPAC2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2O3S/c13-9-5-8(11(14)18-9)10(15)6-3-1-2-4-7(6)12(16)17/h1-5,10,15H,(H,16,17)
InChIKeyFZFLRJIGTBDLEW-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.83
Rot. Bonds3

About 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid

2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid (PubChem CID 43167368) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid
PubChem CID43167368
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid
SMILESO=C(O)c1ccccc1C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2O3S/c13-9-5-8(11(14)18-9)10(15)6-3-1-2-4-7(6)12(16)17/h1-5,10,15H,(H,16,17)
InChIKeyFZFLRJIGTBDLEW-UHFFFAOYSA-N
XLogP3.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(2,4-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 63426938
2-[hydroxy-(4-propan-2-ylphenyl)methyl]benzoic acid
CID 61023494
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-hydroxymethyl]benzoic acid
CID 104546150
(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
2-[hydroxy-(4-methoxy-3,5-dimethylphenyl)methyl]benzoic acid
CID 83046006
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(2,5-dichlorothiophen-3-yl)-(2,5-difluoro-4-methylphenyl)methanol
CID 107964322
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
phthalic acid;hydrobromide
CID 71236392
2-(1-hydroxy-2-methylpropyl)benzoic acid
CID 83388039

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid (CID 43167368) is 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid is O=C(O)c1ccccc1C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid?
The InChIKey is FZFLRJIGTBDLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-9-5-8(11(14)18-9)10(15)6-3-1-2-4-7(6)12(16)17/h1-5,10,15H,(H,16,17).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid?
2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid has a molecular weight of 303.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)-hydroxymethyl]benzoic acid is sourced from PubChem (CID 43167368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).