methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate

C14H14O4S — CID 175240014

IUPACmethyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate
SMILESCCOc1c(O)cc(-c2cccs2)cc1C(=O)OC
InChIInChI=1S/C14H14O4S/c1-3-18-13-10(14(16)17-2)7-9(8-11(13)15)12-5-4-6-19-12/h4-8,15H,3H2,1-2H3
InChIKeyMOWXLEVUGRKYAA-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate

methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate (PubChem CID 175240014) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate
PubChem CID175240014
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namemethyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate
SMILESCCOc1c(O)cc(-c2cccs2)cc1C(=O)OC
InChIInChI=1S/C14H14O4S/c1-3-18-13-10(14(16)17-2)7-9(8-11(13)15)12-5-4-6-19-12/h4-8,15H,3H2,1-2H3
InChIKeyMOWXLEVUGRKYAA-UHFFFAOYSA-N
XLogP3.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
methyl 2-ethoxy-3,5-dihydroxybenzoate
CID 141013441
methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
CID 135020771
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
dimethyl 5-hydroxy-3-thiophen-2-ylbenzene-1,2-dicarboxylate
CID 11098312
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-thiophen-2-ylbenzoate
CID 171646387
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
ethyl 3-thiophen-2-ylbenzoate
CID 162653930
1-O-ethyl 4-O-methyl 2,5-difluoro-3,6-dithiophen-2-ylbenzene-1,4-dicarboxylate
CID 146424255
2-thiophen-2-yl-N'-(3,4,5-triethoxybenzoyl)-1,3-thiazole-4-carbohydrazide
CID 26738509
methyl 1,2,6,7-tetraethoxyphenanthrene-9-carboxylate
CID 162515113

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate?
The IUPAC name of methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate (CID 175240014) is methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate.
What is the SMILES notation for methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate?
The canonical SMILES for methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate is CCOc1c(O)cc(-c2cccs2)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate?
The InChIKey is MOWXLEVUGRKYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-3-18-13-10(14(16)17-2)7-9(8-11(13)15)12-5-4-6-19-12/h4-8,15H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate?
methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate has a molecular weight of 278.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate is sourced from PubChem (CID 175240014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).