(3-methoxy-4-morpholin-4-ylphenyl)boronic acid

C11H16BNO4 — CID 91825783

IUPAC(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
SMILESCOc1cc(B(O)O)ccc1N1CCOCC1
InChIInChI=1S/C11H16BNO4/c1-16-11-8-9(12(14)15)2-3-10(11)13-4-6-17-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyUCXBEBDWDXBCJU-UHFFFAOYSA-N
MW237.06 g/mol
LogP-0.79
Rot. Bonds3

About (3-methoxy-4-morpholin-4-ylphenyl)boronic acid

(3-methoxy-4-morpholin-4-ylphenyl)boronic acid (PubChem CID 91825783) has the molecular formula C11H16BNO4 and a molecular weight of 237.06 g/mol. Its IUPAC name is (3-methoxy-4-morpholin-4-ylphenyl)boronic acid.

Molecular Properties

Compound Name(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
PubChem CID91825783
Molecular FormulaC11H16BNO4
Molecular Weight237.06 g/mol
Exact Mass237.12
IUPAC Name(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
SMILESCOc1cc(B(O)O)ccc1N1CCOCC1
InChIInChI=1S/C11H16BNO4/c1-16-11-8-9(12(14)15)2-3-10(11)13-4-6-17-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKeyUCXBEBDWDXBCJU-UHFFFAOYSA-N
XLogP-0.79
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 5-0.79
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

13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619
13-(4-ethynyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88924483
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
[4-(4-methylpiperazin-1-yl)-3-(trifluoromethoxy)phenyl]boronic acid
CID 150926385
4-(2-chloro-3-methoxyphenyl)morpholine
CID 102440572
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
CID 169367962
3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)aniline
CID 79688857
4-(6,7-dimethoxycinnolin-4-yl)morpholine
CID 58674716
5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 141202625
3-(2-bromoethyl)-1-(3-methoxy-4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 144585899

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-morpholin-4-ylphenyl)boronic acid?
The IUPAC name of (3-methoxy-4-morpholin-4-ylphenyl)boronic acid (CID 91825783) is (3-methoxy-4-morpholin-4-ylphenyl)boronic acid.
What is the SMILES notation for (3-methoxy-4-morpholin-4-ylphenyl)boronic acid?
The canonical SMILES for (3-methoxy-4-morpholin-4-ylphenyl)boronic acid is COc1cc(B(O)O)ccc1N1CCOCC1.
What is the InChIKey of (3-methoxy-4-morpholin-4-ylphenyl)boronic acid?
The InChIKey is UCXBEBDWDXBCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO4/c1-16-11-8-9(12(14)15)2-3-10(11)13-4-6-17-7-5-13/h2-3,8,14-15H,4-7H2,1H3.
What are the key properties of (3-methoxy-4-morpholin-4-ylphenyl)boronic acid?
(3-methoxy-4-morpholin-4-ylphenyl)boronic acid has a molecular weight of 237.06 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-morpholin-4-ylphenyl)boronic acid is sourced from PubChem (CID 91825783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).