[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid

C13H19BO4 — CID 23152918

IUPAC[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1CCOC1CCCCO1
InChIInChI=1S/C13H19BO4/c15-14(16)12-6-2-1-5-11(12)8-10-18-13-7-3-4-9-17-13/h1-2,5-6,13,15-16H,3-4,7-10H2
InChIKeyZIGIVECDHOZKNM-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.45
Rot. Bonds5

About [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid

[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid (PubChem CID 23152918) has the molecular formula C13H19BO4 and a molecular weight of 250.10 g/mol. Its IUPAC name is [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
PubChem CID23152918
Molecular FormulaC13H19BO4
Molecular Weight250.10 g/mol
Exact Mass250.14
IUPAC Name[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
SMILESOB(O)c1ccccc1CCOC1CCCCO1
InChIInChI=1S/C13H19BO4/c15-14(16)12-6-2-1-5-11(12)8-10-18-13-7-3-4-9-17-13/h1-2,5-6,13,15-16H,3-4,7-10H2
InChIKeyZIGIVECDHOZKNM-UHFFFAOYSA-N
XLogP0.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 87419221
CID 87419221
2-(2-phenoxyethoxy)oxane
CID 11736193
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-(3-trityloxypropoxy)oxane
CID 101461782
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
tributyl-[4-[2-(oxan-2-yloxy)ethyl]-5-[3-[2-(oxan-2-yloxy)ethyl]-5-tributylstannylthiophen-2-yl]thiophen-2-yl]stannane
CID 10606018
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid?
The IUPAC name of [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid (CID 23152918) is [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid.
What is the SMILES notation for [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid?
The canonical SMILES for [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid is OB(O)c1ccccc1CCOC1CCCCO1.
What is the InChIKey of [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid?
The InChIKey is ZIGIVECDHOZKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO4/c15-14(16)12-6-2-1-5-11(12)8-10-18-13-7-3-4-9-17-13/h1-2,5-6,13,15-16H,3-4,7-10H2.
What are the key properties of [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid?
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid has a molecular weight of 250.10 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid is sourced from PubChem (CID 23152918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).