methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate

C14H14O4S — CID 21074228

IUPACmethyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(OCCc2cccs2)c1
InChIInChI=1S/C14H14O4S/c1-17-14(16)10-7-11(15)9-12(8-10)18-5-4-13-3-2-6-19-13/h2-3,6-9,15H,4-5H2,1H3
InChIKeyFPDUDGDJMHPJOE-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.86
Rot. Bonds5

About methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate

methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate (PubChem CID 21074228) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
PubChem CID21074228
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namemethyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate
SMILESCOC(=O)c1cc(O)cc(OCCc2cccs2)c1
InChIInChI=1S/C14H14O4S/c1-17-14(16)10-7-11(15)9-12(8-10)18-5-4-13-3-2-6-19-13/h2-3,6-9,15H,4-5H2,1H3
InChIKeyFPDUDGDJMHPJOE-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate?
The IUPAC name of methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate (CID 21074228) is methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate is COC(=O)c1cc(O)cc(OCCc2cccs2)c1.
What is the InChIKey of methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate?
The InChIKey is FPDUDGDJMHPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-17-14(16)10-7-11(15)9-12(8-10)18-5-4-13-3-2-6-19-13/h2-3,6-9,15H,4-5H2,1H3.
What are the key properties of methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate?
methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate has a molecular weight of 278.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(2-thiophen-2-ylethoxy)benzoate is sourced from PubChem (CID 21074228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).