[3-(1-ethoxyethoxy)phenyl]boronic acid

C10H15BO4 — CID 23148193

IUPAC[3-(1-ethoxyethoxy)phenyl]boronic acid
SMILESCCOC(C)Oc1cccc(B(O)O)c1
InChIInChI=1S/C10H15BO4/c1-3-14-8(2)15-10-6-4-5-9(7-10)11(12)13/h4-8,12-13H,3H2,1-2H3
InChIKeyLVUORMAGLHMYAG-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.13
Rot. Bonds5

About [3-(1-ethoxyethoxy)phenyl]boronic acid

[3-(1-ethoxyethoxy)phenyl]boronic acid (PubChem CID 23148193) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is [3-(1-ethoxyethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(1-ethoxyethoxy)phenyl]boronic acid
PubChem CID23148193
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name[3-(1-ethoxyethoxy)phenyl]boronic acid
SMILESCCOC(C)Oc1cccc(B(O)O)c1
InChIInChI=1S/C10H15BO4/c1-3-14-8(2)15-10-6-4-5-9(7-10)11(12)13/h4-8,12-13H,3H2,1-2H3
InChIKeyLVUORMAGLHMYAG-UHFFFAOYSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
(3-methoxyphenyl)boronic acid
CID 2734370
1-(1-ethoxyethoxy)-3-phenylmethoxybenzene
CID 22345861
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
1,3-dibromo-5-(1-ethoxyethoxy)benzene
CID 134249105
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
(3-hexoxyphenyl)boronic acid
CID 43145336
3-[3-(1-ethoxyethoxy)phenyl]-2,5-dimethylhexan-2-amine
CID 123713029
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
[3-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]ethoxy]phenyl]boronic acid
CID 112663866
3,3-bis[4-(1-ethoxyethoxy)phenyl]-2-hydroxypropanoic acid
CID 57190095

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxyethoxy)phenyl]boronic acid?
The IUPAC name of [3-(1-ethoxyethoxy)phenyl]boronic acid (CID 23148193) is [3-(1-ethoxyethoxy)phenyl]boronic acid.
What is the SMILES notation for [3-(1-ethoxyethoxy)phenyl]boronic acid?
The canonical SMILES for [3-(1-ethoxyethoxy)phenyl]boronic acid is CCOC(C)Oc1cccc(B(O)O)c1.
What is the InChIKey of [3-(1-ethoxyethoxy)phenyl]boronic acid?
The InChIKey is LVUORMAGLHMYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-3-14-8(2)15-10-6-4-5-9(7-10)11(12)13/h4-8,12-13H,3H2,1-2H3.
What are the key properties of [3-(1-ethoxyethoxy)phenyl]boronic acid?
[3-(1-ethoxyethoxy)phenyl]boronic acid has a molecular weight of 210.04 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxyethoxy)phenyl]boronic acid is sourced from PubChem (CID 23148193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).