3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid

C18H14O3S — CID 11623751

IUPAC3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(-c3ccsc3)cc2)c1
InChIInChI=1S/C18H14O3S/c19-18(20)15-3-1-2-13(10-15)11-21-17-6-4-14(5-7-17)16-8-9-22-12-16/h1-10,12H,11H2,(H,19,20)
InChIKeyGSJJVDFDKAYMPD-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.69
Rot. Bonds5

About 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid

3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid (PubChem CID 11623751) has the molecular formula C18H14O3S and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid
PubChem CID11623751
Molecular FormulaC18H14O3S
Molecular Weight310.37 g/mol
Exact Mass310.07
IUPAC Name3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cccc(COc2ccc(-c3ccsc3)cc2)c1
InChIInChI=1S/C18H14O3S/c19-18(20)15-3-1-2-13(10-15)11-21-17-6-4-14(5-7-17)16-8-9-22-12-16/h1-10,12H,11H2,(H,19,20)
InChIKeyGSJJVDFDKAYMPD-UHFFFAOYSA-N
XLogP4.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid 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

3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
3-[[4-(2-carboxy-2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 141111716
3-[[3-(1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967624
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[2-oxo-3-(4-phenylmethoxyphenoxy)propyl]benzoic acid
CID 58156785
3-[(4-thiophen-3-ylimidazol-1-yl)methyl]benzoic acid
CID 6539904
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
[3-[(3-thiophen-3-ylphenoxy)methyl]phenyl]methanol
CID 54262502
3-[[4-[(E)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
CID 126202491
3-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)phenoxy]methyl]benzoic acid
CID 166380758

Frequently Asked Questions

What is the IUPAC name of 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid?
The IUPAC name of 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid (CID 11623751) is 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid?
The canonical SMILES for 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid is O=C(O)c1cccc(COc2ccc(-c3ccsc3)cc2)c1.
What is the InChIKey of 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid?
The InChIKey is GSJJVDFDKAYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3S/c19-18(20)15-3-1-2-13(10-15)11-21-17-6-4-14(5-7-17)16-8-9-22-12-16/h1-10,12H,11H2,(H,19,20).
What are the key properties of 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid?
3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid has a molecular weight of 310.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-thiophen-3-ylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 11623751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).