5a,9a-dihydrodibenzofuran-2-ylboronic acid

C12H11BO3 — CID 140733083

IUPAC5a,9a-dihydrodibenzofuran-2-ylboronic acid
SMILESOB(O)c1ccc2c(c1)C1C=CC=CC1O2
InChIInChI=1S/C12H11BO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,9,11,14-15H
InChIKeyHQEQSARICXNUPN-UHFFFAOYSA-N
MW214.03 g/mol
LogP0.34
Rot. Bonds1

About 5a,9a-dihydrodibenzofuran-2-ylboronic acid

5a,9a-dihydrodibenzofuran-2-ylboronic acid (PubChem CID 140733083) has the molecular formula C12H11BO3 and a molecular weight of 214.03 g/mol. Its IUPAC name is 5a,9a-dihydrodibenzofuran-2-ylboronic acid.

Molecular Properties

Compound Name5a,9a-dihydrodibenzofuran-2-ylboronic acid
PubChem CID140733083
Molecular FormulaC12H11BO3
Molecular Weight214.03 g/mol
Exact Mass214.08
IUPAC Name5a,9a-dihydrodibenzofuran-2-ylboronic acid
SMILESOB(O)c1ccc2c(c1)C1C=CC=CC1O2
InChIInChI=1S/C12H11BO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,9,11,14-15H
InChIKeyHQEQSARICXNUPN-UHFFFAOYSA-N
XLogP0.34
TPSA49.69 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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5a,9a-dihydrodibenzofuran-2-ylboronic acid?
The IUPAC name of 5a,9a-dihydrodibenzofuran-2-ylboronic acid (CID 140733083) is 5a,9a-dihydrodibenzofuran-2-ylboronic acid.
What is the SMILES notation for 5a,9a-dihydrodibenzofuran-2-ylboronic acid?
The canonical SMILES for 5a,9a-dihydrodibenzofuran-2-ylboronic acid is OB(O)c1ccc2c(c1)C1C=CC=CC1O2.
What is the InChIKey of 5a,9a-dihydrodibenzofuran-2-ylboronic acid?
The InChIKey is HQEQSARICXNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BO3/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,9,11,14-15H.
What are the key properties of 5a,9a-dihydrodibenzofuran-2-ylboronic acid?
5a,9a-dihydrodibenzofuran-2-ylboronic acid has a molecular weight of 214.03 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,9a-dihydrodibenzofuran-2-ylboronic acid is sourced from PubChem (CID 140733083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).