(8-bromodibenzofuran-4-yl)boronic acid

C12H8BBrO3 — CID 142752650

IUPAC(8-bromodibenzofuran-4-yl)boronic acid
SMILESOB(O)c1cccc2c1oc1ccc(Br)cc12
InChIInChI=1S/C12H8BBrO3/c14-7-4-5-11-9(6-7)8-2-1-3-10(13(15)16)12(8)17-11/h1-6,15-16H
InChIKeyGIJYZZWQBHMICW-UHFFFAOYSA-N
MW290.91 g/mol
LogP2.03
Rot. Bonds1

About (8-bromodibenzofuran-4-yl)boronic acid

(8-bromodibenzofuran-4-yl)boronic acid (PubChem CID 142752650) has the molecular formula C12H8BBrO3 and a molecular weight of 290.91 g/mol. Its IUPAC name is (8-bromodibenzofuran-4-yl)boronic acid.

Molecular Properties

Compound Name(8-bromodibenzofuran-4-yl)boronic acid
PubChem CID142752650
Molecular FormulaC12H8BBrO3
Molecular Weight290.91 g/mol
Exact Mass289.97
IUPAC Name(8-bromodibenzofuran-4-yl)boronic acid
SMILESOB(O)c1cccc2c1oc1ccc(Br)cc12
InChIInChI=1S/C12H8BBrO3/c14-7-4-5-11-9(6-7)8-2-1-3-10(13(15)16)12(8)17-11/h1-6,15-16H
InChIKeyGIJYZZWQBHMICW-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.91
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

8-bromodibenzofuran-4-ol
CID 163774283
2-bromo-6-iododibenzofuran
CID 129100797
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
naphtho[1,2-b][1]benzofuran-4-ylboronic acid
CID 142752835
5-(3-bromophenyl)naphtho[1,2-b][1]benzofuran;naphtho[1,2-b][1]benzofuran-5-ylboronic acid
CID 161013729
21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaen-19-ylboronic acid
CID 140963803
CID 161494489
CID 161494489
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
4-bromo-N-(4-bromophenyl)aniline;dibenzofuran-4-ylboronic acid;4-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 163907509
1,3-dibromobenzene;methane;(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)boronic acid;7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 159855409
2-bromo-8-(1-phenylnaphthalen-2-yl)dibenzofuran;2,8-dibromodibenzofuran;(1-phenylnaphthalen-2-yl)boronic acid
CID 157425380
dibenzofuran;2,8-dibromodibenzofuran;dichloromethane;molecular bromine
CID 159889298

Frequently Asked Questions

What is the IUPAC name of (8-bromodibenzofuran-4-yl)boronic acid?
The IUPAC name of (8-bromodibenzofuran-4-yl)boronic acid (CID 142752650) is (8-bromodibenzofuran-4-yl)boronic acid.
What is the SMILES notation for (8-bromodibenzofuran-4-yl)boronic acid?
The canonical SMILES for (8-bromodibenzofuran-4-yl)boronic acid is OB(O)c1cccc2c1oc1ccc(Br)cc12.
What is the InChIKey of (8-bromodibenzofuran-4-yl)boronic acid?
The InChIKey is GIJYZZWQBHMICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BBrO3/c14-7-4-5-11-9(6-7)8-2-1-3-10(13(15)16)12(8)17-11/h1-6,15-16H.
What are the key properties of (8-bromodibenzofuran-4-yl)boronic acid?
(8-bromodibenzofuran-4-yl)boronic acid has a molecular weight of 290.91 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromodibenzofuran-4-yl)boronic acid is sourced from PubChem (CID 142752650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).