[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid

C15H24BNO4 — CID 64535557

IUPAC[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
SMILESCc1cc(B(O)O)ccc1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C15H24BNO4/c1-11(2)17-6-7-20-14(9-17)10-21-15-5-4-13(16(18)19)8-12(15)3/h4-5,8,11,14,18-19H,6-7,9-10H2,1-3H3
InChIKeyVWQPAJRMOMDWNF-UHFFFAOYSA-N
MW293.17 g/mol
LogP0.16
Rot. Bonds5

About [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid

[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid (PubChem CID 64535557) has the molecular formula C15H24BNO4 and a molecular weight of 293.17 g/mol. Its IUPAC name is [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
PubChem CID64535557
Molecular FormulaC15H24BNO4
Molecular Weight293.17 g/mol
Exact Mass293.18
IUPAC Name[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
SMILESCc1cc(B(O)O)ccc1OCC1CN(C(C)C)CCO1
InChIInChI=1S/C15H24BNO4/c1-11(2)17-6-7-20-14(9-17)10-21-15-5-4-13(16(18)19)8-12(15)3/h4-5,8,11,14,18-19H,6-7,9-10H2,1-3H3
InChIKeyVWQPAJRMOMDWNF-UHFFFAOYSA-N
XLogP0.16
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
[3-methyl-4-(oxan-4-ylmethoxy)phenyl]boronic acid
CID 63216780
4-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarboximidamide
CID 107657195
[3,5-dimethyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64534335

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The IUPAC name of [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid (CID 64535557) is [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The canonical SMILES for [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid is Cc1cc(B(O)O)ccc1OCC1CN(C(C)C)CCO1.
What is the InChIKey of [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
The InChIKey is VWQPAJRMOMDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BNO4/c1-11(2)17-6-7-20-14(9-17)10-21-15-5-4-13(16(18)19)8-12(15)3/h4-5,8,11,14,18-19H,6-7,9-10H2,1-3H3.
What are the key properties of [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid?
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid has a molecular weight of 293.17 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 64535557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).