5-(3-carboxyphenyl)furan-2-carboxylic acid

C12H8O5 — CID 17047066

IUPAC5-(3-carboxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyIBQCYMBXLOYXCL-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.34
Rot. Bonds3

About 5-(3-carboxyphenyl)furan-2-carboxylic acid

5-(3-carboxyphenyl)furan-2-carboxylic acid (PubChem CID 17047066) has the molecular formula C12H8O5 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(3-carboxyphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-carboxyphenyl)furan-2-carboxylic acid
PubChem CID17047066
Molecular FormulaC12H8O5
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name5-(3-carboxyphenyl)furan-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKeyIBQCYMBXLOYXCL-UHFFFAOYSA-N
XLogP2.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-carboxyphenyl)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-(2-Chlorophenyl)-2-furoic acid
CID 784625
Phenethyl 2-furoate
CID 251531
Benzofuran-2-carboxylic acid
CID 10331
5-[2-(Trifluoromethyl)phenyl]furan-2-carboxylic acid
CID 647499
5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
5-(2-(Trifluoromethoxy)phenyl)-2-furoic acid
CID 834826
2-Furancarboxylic acid, 5-(2-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)-1-propenyl)-, (E)-
CID 6366727
Bipinnatin J
CID 5470115
5-(4-Chlorophenyl)-2-furoic acid
CID 726693
5-[(4-Sec-butylphenoxy)methyl]-2-furoic acid
CID 580500

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxyphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-carboxyphenyl)furan-2-carboxylic acid (CID 17047066) is 5-(3-carboxyphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-carboxyphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-carboxyphenyl)furan-2-carboxylic acid is O=C(O)c1cccc(-c2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(3-carboxyphenyl)furan-2-carboxylic acid?
The InChIKey is IBQCYMBXLOYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 5-(3-carboxyphenyl)furan-2-carboxylic acid?
5-(3-carboxyphenyl)furan-2-carboxylic acid has a molecular weight of 232.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxyphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 17047066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).