1-phenyl-2,3-dihydroborole

C10H11B — CID 642720

IUPAC1-phenyl-2,3-dihydroborole
SMILESC1=CB(c2ccccc2)CC1
InChIInChI=1S/C10H11B/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-4,6-8H,5,9H2
InChIKeyOOZDNYDIUQYZMX-UHFFFAOYSA-N
MW142.01 g/mol
LogP1.89
Rot. Bonds1

About 1-phenyl-2,3-dihydroborole

1-phenyl-2,3-dihydroborole (PubChem CID 642720) has the molecular formula C10H11B and a molecular weight of 142.01 g/mol. Its IUPAC name is 1-phenyl-2,3-dihydroborole.

Molecular Properties

Compound Name1-phenyl-2,3-dihydroborole
PubChem CID642720
Molecular FormulaC10H11B
Molecular Weight142.01 g/mol
Exact Mass142.10
IUPAC Name1-phenyl-2,3-dihydroborole
SMILESC1=CB(c2ccccc2)CC1
InChIInChI=1S/C10H11B/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-4,6-8H,5,9H2
InChIKeyOOZDNYDIUQYZMX-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.01
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-phenyl-2,3-dihydroborole?
The IUPAC name of 1-phenyl-2,3-dihydroborole (CID 642720) is 1-phenyl-2,3-dihydroborole.
What is the SMILES notation for 1-phenyl-2,3-dihydroborole?
The canonical SMILES for 1-phenyl-2,3-dihydroborole is C1=CB(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-2,3-dihydroborole?
The InChIKey is OOZDNYDIUQYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11B/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-4,6-8H,5,9H2.
What are the key properties of 1-phenyl-2,3-dihydroborole?
1-phenyl-2,3-dihydroborole has a molecular weight of 142.01 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-dihydroborole is sourced from PubChem (CID 642720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).