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

C11H7BrO3 — CID 741099

IUPAC5-(4-bromophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyMYPDSPQSFHXXTF-UHFFFAOYSA-N
MW267.08 g/mol
LogP3.41
Rot. Bonds2

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

5-(4-bromophenyl)furan-2-carboxylic acid (PubChem CID 741099) has the molecular formula C11H7BrO3 and a molecular weight of 267.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)furan-2-carboxylic acid
PubChem CID741099
Molecular FormulaC11H7BrO3
Molecular Weight267.08 g/mol
Exact Mass265.96
IUPAC Name5-(4-bromophenyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C11H7BrO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKeyMYPDSPQSFHXXTF-UHFFFAOYSA-N
XLogP3.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)furan-2-carboxylic acid (CID 741099) is 5-(4-bromophenyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)furan-2-carboxylic acid?
The InChIKey is MYPDSPQSFHXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-bromophenyl)furan-2-carboxylic acid?
5-(4-bromophenyl)furan-2-carboxylic acid has a molecular weight of 267.08 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)furan-2-carboxylic acid is sourced from PubChem (CID 741099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).