[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid

C13H20BNO4 — CID 67361956

IUPAC[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C13H20BNO4/c16-14(17)12-2-4-13(5-3-12)19-9-1-6-15-7-10-18-11-8-15/h2-5,16-17H,1,6-11H2
InChIKeyQYDWVVHYTUPKHZ-UHFFFAOYSA-N
MW265.12 g/mol
LogP-0.53
Rot. Bonds6

About [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid

[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid (PubChem CID 67361956) has the molecular formula C13H20BNO4 and a molecular weight of 265.12 g/mol. Its IUPAC name is [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
PubChem CID67361956
Molecular FormulaC13H20BNO4
Molecular Weight265.12 g/mol
Exact Mass265.15
IUPAC Name[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C13H20BNO4/c16-14(17)12-2-4-13(5-3-12)19-9-1-6-15-7-10-18-11-8-15/h2-5,16-17H,1,6-11H2
InChIKeyQYDWVVHYTUPKHZ-UHFFFAOYSA-N
XLogP-0.53
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
CID 177034078
CID 177034078
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[4-(3-morpholin-4-ylpropoxy)phenyl]oxane-4-carboxylic acid;hydrochloride
CID 68577604
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
benzo[b][1]benzazepin-11-yl-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 162650885

Frequently Asked Questions

What is the IUPAC name of [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid?
The IUPAC name of [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid (CID 67361956) is [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid.
What is the SMILES notation for [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid?
The canonical SMILES for [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid is OB(O)c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid?
The InChIKey is QYDWVVHYTUPKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BNO4/c16-14(17)12-2-4-13(5-3-12)19-9-1-6-15-7-10-18-11-8-15/h2-5,16-17H,1,6-11H2.
What are the key properties of [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid?
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid has a molecular weight of 265.12 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid is sourced from PubChem (CID 67361956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).