[2-(morpholin-4-ylmethyl)phenyl]boronic acid

C11H16BNO3 — CID 11736160

IUPAC[2-(morpholin-4-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1CN1CCOCC1
InChIInChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
InChIKeyDFBBOZSTIQMBLF-UHFFFAOYSA-N
MW221.07 g/mol
LogP-0.80
Rot. Bonds3

About [2-(morpholin-4-ylmethyl)phenyl]boronic acid

[2-(morpholin-4-ylmethyl)phenyl]boronic acid (PubChem CID 11736160) has the molecular formula C11H16BNO3 and a molecular weight of 221.07 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)phenyl]boronic acid
PubChem CID11736160
Molecular FormulaC11H16BNO3
Molecular Weight221.07 g/mol
Exact Mass221.12
IUPAC Name[2-(morpholin-4-ylmethyl)phenyl]boronic acid
SMILESOB(O)c1ccccc1CN1CCOCC1
InChIInChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2
InChIKeyDFBBOZSTIQMBLF-UHFFFAOYSA-N
XLogP-0.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-(morpholin-4-ylmethyl)phenyl]boronic acid?
The IUPAC name of [2-(morpholin-4-ylmethyl)phenyl]boronic acid (CID 11736160) is [2-(morpholin-4-ylmethyl)phenyl]boronic acid.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)phenyl]boronic acid?
The canonical SMILES for [2-(morpholin-4-ylmethyl)phenyl]boronic acid is OB(O)c1ccccc1CN1CCOCC1.
What is the InChIKey of [2-(morpholin-4-ylmethyl)phenyl]boronic acid?
The InChIKey is DFBBOZSTIQMBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4,14-15H,5-9H2.
What are the key properties of [2-(morpholin-4-ylmethyl)phenyl]boronic acid?
[2-(morpholin-4-ylmethyl)phenyl]boronic acid has a molecular weight of 221.07 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)phenyl]boronic acid is sourced from PubChem (CID 11736160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).