4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid

C14H12O4 — CID 23005243

IUPAC4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H12O4/c15-12(7-8-14(16)17)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-6,9H,7-8H2,(H,16,17)
InChIKeyQKJGDISRSRXLBB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.99
Rot. Bonds5

About 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid

4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid (PubChem CID 23005243) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
PubChem CID23005243
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(-c2ccco2)cc1
InChIInChI=1S/C14H12O4/c15-12(7-8-14(16)17)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-6,9H,7-8H2,(H,16,17)
InChIKeyQKJGDISRSRXLBB-UHFFFAOYSA-N
XLogP2.99
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic 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

4-[4-(furan-2-yl)phenyl]butanoic acid
CID 23005257
[4-(furan-2-yl)phenyl]-phenylmethanone
CID 14657656
4-(furan-2-yl)benzoyl chloride
CID 7537504
4-[4-(furan-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168525452
3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
CID 89129165
CID 89129165
4-[4-(4-methylsulfanylphenyl)phenyl]-4-oxobutanoic acid
CID 23005244
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
4-[4-(2,3-dichlorophenyl)phenyl]-4-oxobutanoic acid
CID 21437985
3-[3-(furan-2-yl)-1,2,4-triazol-1-yl]propanoic acid
CID 82283381
4-[4-[2-(dimethylamino)phenyl]phenyl]-4-oxobutanoic acid
CID 82107384

Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid (CID 23005243) is 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc(-c2ccco2)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid?
The InChIKey is QKJGDISRSRXLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-12(7-8-14(16)17)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid?
4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid has a molecular weight of 244.25 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)phenyl]-4-oxobutanoic acid is sourced from PubChem (CID 23005243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).