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

C11H7BrO4 — CID 12604895

IUPAC5-(4-bromophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeyFQCNVCYLNHHFEJ-UHFFFAOYSA-N
MW283.08 g/mol
LogP3.53
Rot. Bonds3

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

5-(4-bromophenoxy)furan-2-carboxylic acid (PubChem CID 12604895) has the molecular formula C11H7BrO4 and a molecular weight of 283.08 g/mol. Its IUPAC name is 5-(4-bromophenoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenoxy)furan-2-carboxylic acid
PubChem CID12604895
Molecular FormulaC11H7BrO4
Molecular Weight283.08 g/mol
Exact Mass281.95
IUPAC Name5-(4-bromophenoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeyFQCNVCYLNHHFEJ-UHFFFAOYSA-N
XLogP3.53
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenoxy)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-(4-iodophenoxy)furan-2-carboxylic acid
CID 62205649
5-(3,5-dimethylphenoxy)furan-2-carboxylic acid
CID 28814724
5-[1-(4-bromophenoxy)ethyl]furan-2-carboxylic acid
CID 22684931
5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
CID 55244838
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(5-methoxy-2-nitrophenoxy)furan-2-carboxylic acid
CID 102702579
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(4-bromophenoxy)furan-2-carboxylic acid (CID 12604895) is 5-(4-bromophenoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-bromophenoxy)furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenoxy)furan-2-carboxylic acid?
The InChIKey is FQCNVCYLNHHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO4/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-bromophenoxy)furan-2-carboxylic acid?
5-(4-bromophenoxy)furan-2-carboxylic acid has a molecular weight of 283.08 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenoxy)furan-2-carboxylic acid is sourced from PubChem (CID 12604895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).