(3-ethoxy-4-ethylphenyl)boronic acid

C10H15BO3 — CID 170999917

IUPAC(3-ethoxy-4-ethylphenyl)boronic acid
SMILESCCOc1cc(B(O)O)ccc1CC
InChIInChI=1S/C10H15BO3/c1-3-8-5-6-9(11(12)13)7-10(8)14-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKeyWIMUQTIZXCGUBS-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.33
Rot. Bonds4

About (3-ethoxy-4-ethylphenyl)boronic acid

(3-ethoxy-4-ethylphenyl)boronic acid (PubChem CID 170999917) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is (3-ethoxy-4-ethylphenyl)boronic acid.

Molecular Properties

Compound Name(3-ethoxy-4-ethylphenyl)boronic acid
PubChem CID170999917
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Name(3-ethoxy-4-ethylphenyl)boronic acid
SMILESCCOc1cc(B(O)O)ccc1CC
InChIInChI=1S/C10H15BO3/c1-3-8-5-6-9(11(12)13)7-10(8)14-4-2/h5-7,12-13H,3-4H2,1-2H3
InChIKeyWIMUQTIZXCGUBS-UHFFFAOYSA-N
XLogP0.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-ethylphenyl)boronic acid?
The IUPAC name of (3-ethoxy-4-ethylphenyl)boronic acid (CID 170999917) is (3-ethoxy-4-ethylphenyl)boronic acid.
What is the SMILES notation for (3-ethoxy-4-ethylphenyl)boronic acid?
The canonical SMILES for (3-ethoxy-4-ethylphenyl)boronic acid is CCOc1cc(B(O)O)ccc1CC.
What is the InChIKey of (3-ethoxy-4-ethylphenyl)boronic acid?
The InChIKey is WIMUQTIZXCGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3/c1-3-8-5-6-9(11(12)13)7-10(8)14-4-2/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of (3-ethoxy-4-ethylphenyl)boronic acid?
(3-ethoxy-4-ethylphenyl)boronic acid has a molecular weight of 194.04 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-ethylphenyl)boronic acid is sourced from PubChem (CID 170999917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).