ethyl 4-hydroxy-5-methylthiophene-2-carboxylate

C8H10O3S — CID 588232

IUPACethyl 4-hydroxy-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c(C)s1
InChIInChI=1S/C8H10O3S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4,9H,3H2,1-2H3
InChIKeyVRPWBDLBYGEORM-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.94
Rot. Bonds2

About ethyl 4-hydroxy-5-methylthiophene-2-carboxylate

ethyl 4-hydroxy-5-methylthiophene-2-carboxylate (PubChem CID 588232) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-methylthiophene-2-carboxylate
PubChem CID588232
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Nameethyl 4-hydroxy-5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1cc(O)c(C)s1
InChIInChI=1S/C8H10O3S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4,9H,3H2,1-2H3
InChIKeyVRPWBDLBYGEORM-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 5-methyl-4-phenylthiophene-2-carboxylate;5-methyl-4-phenylthiophene-2-carboxylic acid
CID 161205106
ethyl 4-hydroxy-5-nitrothiophene-2-carboxylate;ethyl 4-methoxy-5-nitrothiophene-2-carboxylate
CID 154984011
ethyl 4,5-diformylthiophene-2-carboxylate
CID 122375809
2,5-bis(ethoxycarbonyl)thiophene-3-sulfonic acid
CID 139663947
ethyl 2-ethyl-5-methylthiophene-3-carboxylate
CID 134970605
ethyl 5,6,7-trimethyl-1-benzothiophene-2-carboxylate
CID 158313823
ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-methylthiophene-2-carboxylate (CID 588232) is ethyl 4-hydroxy-5-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-methylthiophene-2-carboxylate is CCOC(=O)c1cc(O)c(C)s1.
What is the InChIKey of ethyl 4-hydroxy-5-methylthiophene-2-carboxylate?
The InChIKey is VRPWBDLBYGEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-3-11-8(10)7-4-6(9)5(2)12-7/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-5-methylthiophene-2-carboxylate?
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate has a molecular weight of 186.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 588232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).