5-bromo-2-dibenzofuran-4-ylbenzoic acid

C19H11BrO3 — CID 122634670

IUPAC5-bromo-2-dibenzofuran-4-ylbenzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H11BrO3/c20-11-8-9-12(16(10-11)19(21)22)14-5-3-6-15-13-4-1-2-7-17(13)23-18(14)15/h1-10H,(H,21,22)
InChIKeyZUSZPDOOAGAXNV-UHFFFAOYSA-N
MW367.20 g/mol
LogP5.71
Rot. Bonds2

About 5-bromo-2-dibenzofuran-4-ylbenzoic acid

5-bromo-2-dibenzofuran-4-ylbenzoic acid (PubChem CID 122634670) has the molecular formula C19H11BrO3 and a molecular weight of 367.20 g/mol. Its IUPAC name is 5-bromo-2-dibenzofuran-4-ylbenzoic acid.

Molecular Properties

Compound Name5-bromo-2-dibenzofuran-4-ylbenzoic acid
PubChem CID122634670
Molecular FormulaC19H11BrO3
Molecular Weight367.20 g/mol
Exact Mass365.99
IUPAC Name5-bromo-2-dibenzofuran-4-ylbenzoic acid
SMILESO=C(O)c1cc(Br)ccc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H11BrO3/c20-11-8-9-12(16(10-11)19(21)22)14-5-3-6-15-13-4-1-2-7-17(13)23-18(14)15/h1-10H,(H,21,22)
InChIKeyZUSZPDOOAGAXNV-UHFFFAOYSA-N
XLogP5.71
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.20
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-dibenzofuran-4-ylbenzoic 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

1-[5-bromo-2-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]ethanone
CID 142604922
1-dibenzofuran-4-ylnaphthalene-2-carboxylic acid
CID 146645135
11-bromo-14-(2-dibenzofuran-4-ylphenyl)tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-14-ol
CID 130463559
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
5-bromo-2-(2,3-dimethylphenyl)benzoic acid
CID 114032340
(4-dibenzofuran-4-ylnaphthalen-1-yl)boronic acid
CID 155730533
3,6-dibromo-9-(2-dibenzofuran-4-ylphenyl)carbazole
CID 169284938
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-dibenzofuran-4-ylbenzoic acid?
The IUPAC name of 5-bromo-2-dibenzofuran-4-ylbenzoic acid (CID 122634670) is 5-bromo-2-dibenzofuran-4-ylbenzoic acid.
What is the SMILES notation for 5-bromo-2-dibenzofuran-4-ylbenzoic acid?
The canonical SMILES for 5-bromo-2-dibenzofuran-4-ylbenzoic acid is O=C(O)c1cc(Br)ccc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 5-bromo-2-dibenzofuran-4-ylbenzoic acid?
The InChIKey is ZUSZPDOOAGAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrO3/c20-11-8-9-12(16(10-11)19(21)22)14-5-3-6-15-13-4-1-2-7-17(13)23-18(14)15/h1-10H,(H,21,22).
What are the key properties of 5-bromo-2-dibenzofuran-4-ylbenzoic acid?
5-bromo-2-dibenzofuran-4-ylbenzoic acid has a molecular weight of 367.20 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-dibenzofuran-4-ylbenzoic acid is sourced from PubChem (CID 122634670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).