8,9-dihydrodibenzofuran-4-ylboronic acid

C12H11BO3 — CID 123567559

IUPAC8,9-dihydrodibenzofuran-4-ylboronic acid
SMILESOB(O)c1cccc2c3c(oc12)C=CCC3
InChIInChI=1S/C12H11BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h2-3,5-7,14-15H,1,4H2
InChIKeyKMFHPXPEIDFBEB-UHFFFAOYSA-N
MW214.03 g/mol
LogP1.07
Rot. Bonds1

About 8,9-dihydrodibenzofuran-4-ylboronic acid

8,9-dihydrodibenzofuran-4-ylboronic acid (PubChem CID 123567559) has the molecular formula C12H11BO3 and a molecular weight of 214.03 g/mol. Its IUPAC name is 8,9-dihydrodibenzofuran-4-ylboronic acid.

Molecular Properties

Compound Name8,9-dihydrodibenzofuran-4-ylboronic acid
PubChem CID123567559
Molecular FormulaC12H11BO3
Molecular Weight214.03 g/mol
Exact Mass214.08
IUPAC Name8,9-dihydrodibenzofuran-4-ylboronic acid
SMILESOB(O)c1cccc2c3c(oc12)C=CCC3
InChIInChI=1S/C12H11BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h2-3,5-7,14-15H,1,4H2
InChIKeyKMFHPXPEIDFBEB-UHFFFAOYSA-N
XLogP1.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.03
LogP ≤ 51.07
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

6-bromo-1,2-dihydrodibenzofuran
CID 121420689
ethane;N-phenyl-8,9-dihydrodibenzofuran-4-amine
CID 145105452
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
6-(10-pyren-1-ylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 88564296
(2,3-dimethyl-1-benzofuran-7-yl)boronic acid
CID 123918946
4-amino-8,9-dihydrodibenzofuran-3-carbonitrile
CID 163438436
4-[4-[8-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]pyren-1-yl]phenyl]dibenzofuran
CID 88912607
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
2-[3-(8,9-dihydrodibenzofuran-4-yl)phenyl]-3-(2,4,6-trimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88905815
6-[9,9-dimethyl-7-(2-methylsulfanylphenyl)sulfanylfluoren-2-yl]-1,2-dihydrodibenzofuran
CID 145441970
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydrodibenzofuran-4-ylboronic acid?
The IUPAC name of 8,9-dihydrodibenzofuran-4-ylboronic acid (CID 123567559) is 8,9-dihydrodibenzofuran-4-ylboronic acid.
What is the SMILES notation for 8,9-dihydrodibenzofuran-4-ylboronic acid?
The canonical SMILES for 8,9-dihydrodibenzofuran-4-ylboronic acid is OB(O)c1cccc2c3c(oc12)C=CCC3.
What is the InChIKey of 8,9-dihydrodibenzofuran-4-ylboronic acid?
The InChIKey is KMFHPXPEIDFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO3/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h2-3,5-7,14-15H,1,4H2.
What are the key properties of 8,9-dihydrodibenzofuran-4-ylboronic acid?
8,9-dihydrodibenzofuran-4-ylboronic acid has a molecular weight of 214.03 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydrodibenzofuran-4-ylboronic acid is sourced from PubChem (CID 123567559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).