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

C12H18BNO4 — CID 43145297

IUPAC[4-(2-morpholin-4-ylethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18BNO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4,15-16H,5-10H2
InChIKeyRCUWZKVTDDDVET-UHFFFAOYSA-N
MW251.09 g/mol
LogP-0.92
Rot. Bonds5

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

[4-(2-morpholin-4-ylethoxy)phenyl]boronic acid (PubChem CID 43145297) has the molecular formula C12H18BNO4 and a molecular weight of 251.09 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylethoxy)phenyl]boronic acid
PubChem CID43145297
Molecular FormulaC12H18BNO4
Molecular Weight251.09 g/mol
Exact Mass251.13
IUPAC Name[4-(2-morpholin-4-ylethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C12H18BNO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4,15-16H,5-10H2
InChIKeyRCUWZKVTDDDVET-UHFFFAOYSA-N
XLogP-0.92
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid?
The IUPAC name of [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid (CID 43145297) is [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid.
What is the SMILES notation for [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid?
The canonical SMILES for [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid is OB(O)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid?
The InChIKey is RCUWZKVTDDDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BNO4/c15-13(16)11-1-3-12(4-2-11)18-10-7-14-5-8-17-9-6-14/h1-4,15-16H,5-10H2.
What are the key properties of [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid?
[4-(2-morpholin-4-ylethoxy)phenyl]boronic acid has a molecular weight of 251.09 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylethoxy)phenyl]boronic acid is sourced from PubChem (CID 43145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).