5-(4-methylphenyl)furan-2-carboxylic acid

C12H10O3 — CID 854664

IUPAC5-(4-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyYZDIEQFFXQUBRM-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.95
Rot. Bonds2

About 5-(4-methylphenyl)furan-2-carboxylic acid

5-(4-methylphenyl)furan-2-carboxylic acid (PubChem CID 854664) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(4-methylphenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)furan-2-carboxylic acid
PubChem CID854664
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name5-(4-methylphenyl)furan-2-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyYZDIEQFFXQUBRM-UHFFFAOYSA-N
XLogP2.95
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-methylphenyl)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-methylphenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)furan-2-carboxylic acid (CID 854664) is 5-(4-methylphenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)furan-2-carboxylic acid is Cc1ccc(-c2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-(4-methylphenyl)furan-2-carboxylic acid?
The InChIKey is YZDIEQFFXQUBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(4-methylphenyl)furan-2-carboxylic acid?
5-(4-methylphenyl)furan-2-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)furan-2-carboxylic acid is sourced from PubChem (CID 854664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).