5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid

C14H14O4S — CID 79083816

IUPAC5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid
SMILESCSc1ccccc1OC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O4S/c1-9(10-7-8-12(18-10)14(15)16)17-11-5-3-4-6-13(11)19-2/h3-9H,1-2H3,(H,15,16)
InChIKeyHDBDBPKCWDPHOL-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.84
Rot. Bonds5

About 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid

5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid (PubChem CID 79083816) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid
PubChem CID79083816
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid
SMILESCSc1ccccc1OC(C)c1ccc(C(=O)O)o1
InChIInChI=1S/C14H14O4S/c1-9(10-7-8-12(18-10)14(15)16)17-11-5-3-4-6-13(11)19-2/h3-9H,1-2H3,(H,15,16)
InChIKeyHDBDBPKCWDPHOL-UHFFFAOYSA-N
XLogP3.84
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic 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-[1-(2-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 79018091
5-[1-(4-fluorophenoxy)ethyl]furan-2-carboxylic acid
CID 20993514
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-[1-(3-propan-2-ylphenoxy)ethyl]furan-2-carboxylic acid
CID 20988808
5-[1-(5-bromo-2-chlorophenoxy)ethyl]furan-2-carboxylic acid
CID 79084510
5-[1-(2-bromo-4-methoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 20984610
5-[1-(2-tert-butyl-5-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 20985835
5-[1-(4-ethoxyphenoxy)ethyl]furan-2-carboxylic acid
CID 22680826
1-(4-methylphenyl)-2-(2-methylsulfanylphenoxy)propan-1-one
CID 63647844
5-[1-(4-bromo-2,6-dimethylphenoxy)ethyl]furan-2-carboxylic acid
CID 20984623
5-[1-(2-fluoro-6-nitrophenoxy)ethyl]furan-2-carboxylic acid
CID 104831546
methyl 5-[1-(2-nitrophenoxy)ethyl]furan-2-carboxylate
CID 79085289

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid (CID 79083816) is 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid is CSc1ccccc1OC(C)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid?
The InChIKey is HDBDBPKCWDPHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9(10-7-8-12(18-10)14(15)16)17-11-5-3-4-6-13(11)19-2/h3-9H,1-2H3,(H,15,16).
What are the key properties of 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid?
5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylsulfanylphenoxy)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79083816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).