2-Thiophenecarboxylic acid, 2-methoxyphenyl ester

C12H10O3S — CID 215656

IUPAC(2-methoxyphenyl) thiophene-2-carboxylate
SMILESCOC1=CC=CC=C1OC(=O)C2=CC=CS2
InChIInChI=1S/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3
InChIKeyLCVPOIWPINSTGT-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.30
Rot. Bonds4

About 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester

2-Thiophenecarboxylic acid, 2-methoxyphenyl ester (PubChem CID 215656) has the molecular formula C12H10O3S and a molecular weight of 234.27 g/mol. Its IUPAC name is (2-methoxyphenyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name2-Thiophenecarboxylic acid, 2-methoxyphenyl ester
PubChem CID215656
Molecular FormulaC12H10O3S
Molecular Weight234.27 g/mol
Exact Mass234.04
IUPAC Name(2-methoxyphenyl) thiophene-2-carboxylate
SMILESCOC1=CC=CC=C1OC(=O)C2=CC=CS2
InChIInChI=1S/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3
InChIKeyLCVPOIWPINSTGT-UHFFFAOYSA-N
XLogP3.30
TPSA63.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity244

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester 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

4-Formyl-2-methoxyphenyl thiophene-2-carboxylate
CID 776772
2-(2-Hydroxy-phenoxy)-1-thiophen-2-YL-ethanone
CID 853399
Phenyl thiophene-2-carboxylate
CID 573755
1,3-Benzodioxol-5-yl 2-thiophenecarboxylate
CID 2999186
(2E)-3-(3,4-Dimethoxyphenyl)-1-(2-thienyl)-2-propen-1-one
CID 5287174
4-Propylphenyl 2-thiophenecarboxylate
CID 734131
2-(4-Methoxyphenoxy)ethyl thiophene-2-carboxylate
CID 2095591
4-Methylphenyl thiophene-2-carboxylate
CID 222495
4-Fluorophenyl 2-thiophenecarboxylate
CID 573740
2-Thiophenecarboxylic acid, chloromethoxyphenyl ester
CID 215805
2-Thiophenecarboxylic acid, bromomethoxyphenyl ester
CID 215806
2-Thiophenecarboxylic acid, chloroethoxyphenyl ester
CID 215807

Frequently Asked Questions

What is the IUPAC name of 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester?
The IUPAC name of 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester (CID 215656) is (2-methoxyphenyl) thiophene-2-carboxylate.
What is the SMILES notation for 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester?
The canonical SMILES for 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester is COC1=CC=CC=C1OC(=O)C2=CC=CS2.
What is the InChIKey of 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester?
The InChIKey is LCVPOIWPINSTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-14-9-5-2-3-6-10(9)15-12(13)11-7-4-8-16-11/h2-8H,1H3.
What are the key properties of 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester?
2-Thiophenecarboxylic acid, 2-methoxyphenyl ester has a molecular weight of 234.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Thiophenecarboxylic acid, 2-methoxyphenyl ester is sourced from PubChem (CID 215656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).