(2-methoxyphenyl)boronic acid

C7H9BO3 — CID 2733958

IUPAC(2-methoxyphenyl)boronic acid
SMILESCOc1ccccc1B(O)O
InChIInChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKeyROEQGIFOWRQYHD-UHFFFAOYSA-N
MW151.96 g/mol
LogP-0.62
Rot. Bonds2

About (2-methoxyphenyl)boronic acid

(2-methoxyphenyl)boronic acid (PubChem CID 2733958) has the molecular formula C7H9BO3 and a molecular weight of 151.96 g/mol. Its IUPAC name is (2-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-methoxyphenyl)boronic acid
PubChem CID2733958
Molecular FormulaC7H9BO3
Molecular Weight151.96 g/mol
Exact Mass152.06
IUPAC Name(2-methoxyphenyl)boronic acid
SMILESCOc1ccccc1B(O)O
InChIInChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKeyROEQGIFOWRQYHD-UHFFFAOYSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.96
LogP ≤ 5-0.62
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-methoxyphenyl)boronic acid;toluene
CID 159956839
(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
CID 172849713
aminooxy-(2-methoxyphenyl)borinic acid
CID 141379819
bromooxy-(2-methoxyphenyl)borinic acid
CID 174742163
chlorooxy-(2-methoxyphenyl)borinic acid
CID 141079406
(2-ethoxyphenyl)boronic acid
CID 2734902
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204
butoxy-(2-methoxyphenyl)borinic acid
CID 174770895
methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)boronic acid?
The IUPAC name of (2-methoxyphenyl)boronic acid (CID 2733958) is (2-methoxyphenyl)boronic acid.
What is the SMILES notation for (2-methoxyphenyl)boronic acid?
The canonical SMILES for (2-methoxyphenyl)boronic acid is COc1ccccc1B(O)O.
What is the InChIKey of (2-methoxyphenyl)boronic acid?
The InChIKey is ROEQGIFOWRQYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3.
What are the key properties of (2-methoxyphenyl)boronic acid?
(2-methoxyphenyl)boronic acid has a molecular weight of 151.96 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)boronic acid is sourced from PubChem (CID 2733958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).