5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid

C15H16O4 — CID 580499

IUPAC5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O4/c1-10(2)11-3-5-12(6-4-11)18-9-13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyUUHXCKRZEMAPMU-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.68
Rot. Bonds5

About 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid

5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 580499) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid
PubChem CID580499
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H16O4/c1-10(2)11-3-5-12(6-4-11)18-9-13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyUUHXCKRZEMAPMU-UHFFFAOYSA-N
XLogP3.68
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-propan-2-ylphenoxy)methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid (CID 580499) is 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid is CC(C)c1ccc(OCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is UUHXCKRZEMAPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(2)11-3-5-12(6-4-11)18-9-13-7-8-14(19-13)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid?
5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 580499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).