5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid

C14H14O3S — CID 55220019

IUPAC5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
SMILESCc1ccc(OCCc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C14H14O3S/c1-10-4-5-13(12(9-10)14(15)16)17-7-6-11-3-2-8-18-11/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyNLLSGZNUJULQOW-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.38
Rot. Bonds5

About 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid

5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid (PubChem CID 55220019) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
PubChem CID55220019
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
SMILESCc1ccc(OCCc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C14H14O3S/c1-10-4-5-13(12(9-10)14(15)16)17-7-6-11-3-2-8-18-11/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyNLLSGZNUJULQOW-UHFFFAOYSA-N
XLogP3.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-(2-thiophen-2-ylethoxy)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

5-methyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoic acid
CID 60652928
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
5-methyl-2-nonoxybenzoic acid
CID 63463067
(5-methyl-2-propoxyphenyl)-thiophen-2-ylmethanone
CID 82051969
6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
CID 62702609
2-but-3-ynoxy-5-methylbenzoic acid
CID 61379839
4-methyl-2-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 79487821
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
1-[4-fluoro-2-(2-thiophen-2-ylethoxy)phenyl]ethanone
CID 63774355

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid?
The IUPAC name of 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid (CID 55220019) is 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid.
What is the SMILES notation for 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid?
The canonical SMILES for 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid is Cc1ccc(OCCc2cccs2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid?
The InChIKey is NLLSGZNUJULQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-10-4-5-13(12(9-10)14(15)16)17-7-6-11-3-2-8-18-11/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid?
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid has a molecular weight of 262.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid is sourced from PubChem (CID 55220019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).