(2-formylphenyl)boronic acid;oxolane

C11H15BO4 — CID 174736700

IUPAC(2-formylphenyl)boronic acid;oxolane
SMILESC1CCOC1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C7H7BO3.C4H8O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2-4-5-3-1/h1-5,10-11H;1-4H2
InChIKeyYKVKDGRINLFSMJ-UHFFFAOYSA-N
MW222.05 g/mol
LogP-0.02
Rot. Bonds2

About (2-formylphenyl)boronic acid;oxolane

(2-formylphenyl)boronic acid;oxolane (PubChem CID 174736700) has the molecular formula C11H15BO4 and a molecular weight of 222.05 g/mol. Its IUPAC name is (2-formylphenyl)boronic acid;oxolane.

Molecular Properties

Compound Name(2-formylphenyl)boronic acid;oxolane
PubChem CID174736700
Molecular FormulaC11H15BO4
Molecular Weight222.05 g/mol
Exact Mass222.11
IUPAC Name(2-formylphenyl)boronic acid;oxolane
SMILESC1CCOC1.O=Cc1ccccc1B(O)O
InChIInChI=1S/C7H7BO3.C4H8O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2-4-5-3-1/h1-5,10-11H;1-4H2
InChIKeyYKVKDGRINLFSMJ-UHFFFAOYSA-N
XLogP-0.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-formylphenyl)boronic acid;oxolane?
The IUPAC name of (2-formylphenyl)boronic acid;oxolane (CID 174736700) is (2-formylphenyl)boronic acid;oxolane.
What is the SMILES notation for (2-formylphenyl)boronic acid;oxolane?
The canonical SMILES for (2-formylphenyl)boronic acid;oxolane is C1CCOC1.O=Cc1ccccc1B(O)O.
What is the InChIKey of (2-formylphenyl)boronic acid;oxolane?
The InChIKey is YKVKDGRINLFSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BO3.C4H8O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2-4-5-3-1/h1-5,10-11H;1-4H2.
What are the key properties of (2-formylphenyl)boronic acid;oxolane?
(2-formylphenyl)boronic acid;oxolane has a molecular weight of 222.05 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylphenyl)boronic acid;oxolane is sourced from PubChem (CID 174736700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).