(2-ethoxyphenyl)boronic acid

C8H11BO3 — CID 2734902

IUPAC(2-ethoxyphenyl)boronic acid
SMILESCCOc1ccccc1B(O)O
InChIInChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKeyDGFCTCGCMKEILT-UHFFFAOYSA-N
MW165.98 g/mol
LogP-0.23
Rot. Bonds3

About (2-ethoxyphenyl)boronic acid

(2-ethoxyphenyl)boronic acid (PubChem CID 2734902) has the molecular formula C8H11BO3 and a molecular weight of 165.98 g/mol. Its IUPAC name is (2-ethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-ethoxyphenyl)boronic acid
PubChem CID2734902
Molecular FormulaC8H11BO3
Molecular Weight165.98 g/mol
Exact Mass166.08
IUPAC Name(2-ethoxyphenyl)boronic acid
SMILESCCOc1ccccc1B(O)O
InChIInChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKeyDGFCTCGCMKEILT-UHFFFAOYSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.98
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-propoxyphenyl)boronic acid
CID 4219796
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
(2-methoxyphenyl)boronic acid
CID 2733958
(2,5-diethoxyphenyl)boronic acid
CID 45094210
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
[3-ethoxy-2-[(3-ethoxy-2-hydroxyphenyl)-hydroxyboranyl]oxyphenyl]boronic acid
CID 70186251
sodium 2-ethoxyphenolate
CID 23671657
[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 43327841
[(E)-2-(2-ethoxyphenyl)ethenyl]boronic acid
CID 81222532
2-ethoxyaniline;propan-2-one
CID 517004
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)boronic acid?
The IUPAC name of (2-ethoxyphenyl)boronic acid (CID 2734902) is (2-ethoxyphenyl)boronic acid.
What is the SMILES notation for (2-ethoxyphenyl)boronic acid?
The canonical SMILES for (2-ethoxyphenyl)boronic acid is CCOc1ccccc1B(O)O.
What is the InChIKey of (2-ethoxyphenyl)boronic acid?
The InChIKey is DGFCTCGCMKEILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl)boronic acid?
(2-ethoxyphenyl)boronic acid has a molecular weight of 165.98 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)boronic acid is sourced from PubChem (CID 2734902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).