5-(2-methoxyphenyl)furan-2-carboxylic acid

C12H10O4 — CID 776315

IUPAC5-(2-methoxyphenyl)furan-2-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyCHWVDGYLKPLBES-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.65
Rot. Bonds3

About 5-(2-methoxyphenyl)furan-2-carboxylic acid

5-(2-methoxyphenyl)furan-2-carboxylic acid (PubChem CID 776315) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyphenyl)furan-2-carboxylic acid
PubChem CID776315
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name5-(2-methoxyphenyl)furan-2-carboxylic acid
SMILESCOc1ccccc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyCHWVDGYLKPLBES-UHFFFAOYSA-N
XLogP2.65
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methoxyphenyl)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-(2-methoxyphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-methoxyphenyl)furan-2-carboxylic acid (CID 776315) is 5-(2-methoxyphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-methoxyphenyl)furan-2-carboxylic acid is COc1ccccc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-methoxyphenyl)furan-2-carboxylic acid?
The InChIKey is CHWVDGYLKPLBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-9-5-3-2-4-8(9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(2-methoxyphenyl)furan-2-carboxylic acid?
5-(2-methoxyphenyl)furan-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 776315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).