5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid

C15H16O3 — CID 21387641

IUPAC5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid
SMILESCc1ccc(C(C)c2ccc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C15H16O3/c1-9-4-5-12(10(2)8-9)11(3)13-6-7-14(18-13)15(16)17/h4-8,11H,1-3H3,(H,16,17)
InChIKeyUWFXBXWQUPCNKL-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.75
Rot. Bonds3

About 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid

5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid (PubChem CID 21387641) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid
PubChem CID21387641
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid
SMILESCc1ccc(C(C)c2ccc(C(=O)O)o2)c(C)c1
InChIInChI=1S/C15H16O3/c1-9-4-5-12(10(2)8-9)11(3)13-6-7-14(18-13)15(16)17/h4-8,11H,1-3H3,(H,16,17)
InChIKeyUWFXBXWQUPCNKL-UHFFFAOYSA-N
XLogP3.75
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[1-(2,4-dimethylphenyl)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-(2,4-dichlorophenyl)ethyl]furan-2-carboxylic acid
CID 21387563
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[1-cyano-2-(2,5-dimethylphenyl)ethyl]furan-2-carboxylic acid
CID 82141341
5-[1-(2-tert-butyl-5-methylphenoxy)ethyl]furan-2-carboxylic acid
CID 20985835
5-[[1-(2,5-dimethylphenyl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317147
5-[(2,4-dimethylphenyl)sulfinylmethyl]furan-2-carboxylic acid
CID 61304332
3-[1-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-hydroxybenzoic acid
CID 139841985
5-[1-[methyl-[(4-methylphenyl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79083648
4-[2-carboxy-2-(2,4-dimethylphenyl)ethyl]benzoic acid
CID 83955770
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
5-[1-(5-amino-2-methylphenyl)sulfanylethyl]furan-2-carboxylic acid
CID 79141045

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid (CID 21387641) is 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid is Cc1ccc(C(C)c2ccc(C(=O)O)o2)c(C)c1.
What is the InChIKey of 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid?
The InChIKey is UWFXBXWQUPCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-4-5-12(10(2)8-9)11(3)13-6-7-14(18-13)15(16)17/h4-8,11H,1-3H3,(H,16,17).
What are the key properties of 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid?
5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dimethylphenyl)ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 21387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).