methyl 2-hydroxy-6-thiophen-2-ylbenzoate

C12H10O3S — CID 15679686

IUPACmethyl 2-hydroxy-6-thiophen-2-ylbenzoate
SMILESCOC(=O)c1c(O)cccc1-c1cccs1
InChIInChI=1S/C12H10O3S/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7,13H,1H3
InChIKeyLUPRMBVICJHMBU-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-hydroxy-6-thiophen-2-ylbenzoate

methyl 2-hydroxy-6-thiophen-2-ylbenzoate (PubChem CID 15679686) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 2-hydroxy-6-thiophen-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6-thiophen-2-ylbenzoate
PubChem CID15679686
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Namemethyl 2-hydroxy-6-thiophen-2-ylbenzoate
SMILESCOC(=O)c1c(O)cccc1-c1cccs1
InChIInChI=1S/C12H10O3S/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7,13H,1H3
InChIKeyLUPRMBVICJHMBU-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 2-methoxy-4-thiophen-2-ylpyridine-3-carboxylate
CID 139645960
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
dimethylamino 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-thiophen-2-ylbenzoate
CID 54165404
methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
CID 135020771
methyl 2-(4-acetylphenyl)-6-hydroxybenzoate
CID 102434886
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
methyl 3-(2-chloroethyl)-4-ethyl-6-hydroxy-2-thiophen-2-ylbenzoate
CID 102392506
methyl 2-(4-chlorobutanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 2384089
1-O-ethyl 4-O-methyl 2,5-difluoro-3,6-dithiophen-2-ylbenzene-1,4-dicarboxylate
CID 146424255
methyl 2-amino-5-propan-2-yl-4-thiophen-2-ylthiophene-3-carboxylate
CID 82028184

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6-thiophen-2-ylbenzoate?
The IUPAC name of methyl 2-hydroxy-6-thiophen-2-ylbenzoate (CID 15679686) is methyl 2-hydroxy-6-thiophen-2-ylbenzoate.
What is the SMILES notation for methyl 2-hydroxy-6-thiophen-2-ylbenzoate?
The canonical SMILES for methyl 2-hydroxy-6-thiophen-2-ylbenzoate is COC(=O)c1c(O)cccc1-c1cccs1.
What is the InChIKey of methyl 2-hydroxy-6-thiophen-2-ylbenzoate?
The InChIKey is LUPRMBVICJHMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-15-12(14)11-8(4-2-5-9(11)13)10-6-3-7-16-10/h2-7,13H,1H3.
What are the key properties of methyl 2-hydroxy-6-thiophen-2-ylbenzoate?
methyl 2-hydroxy-6-thiophen-2-ylbenzoate has a molecular weight of 234.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6-thiophen-2-ylbenzoate is sourced from PubChem (CID 15679686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).