(4-methoxy-2,6-dimethylphenyl)boronic acid

C9H13BO3 — CID 3716303

IUPAC(4-methoxy-2,6-dimethylphenyl)boronic acid
SMILESCOc1cc(C)c(B(O)O)c(C)c1
InChIInChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3
InChIKeyUOSSBXMFWPYHEF-UHFFFAOYSA-N
MW180.01 g/mol
LogP-0.01
Rot. Bonds2

About (4-methoxy-2,6-dimethylphenyl)boronic acid

(4-methoxy-2,6-dimethylphenyl)boronic acid (PubChem CID 3716303) has the molecular formula C9H13BO3 and a molecular weight of 180.01 g/mol. Its IUPAC name is (4-methoxy-2,6-dimethylphenyl)boronic acid.

Molecular Properties

Compound Name(4-methoxy-2,6-dimethylphenyl)boronic acid
PubChem CID3716303
Molecular FormulaC9H13BO3
Molecular Weight180.01 g/mol
Exact Mass180.10
IUPAC Name(4-methoxy-2,6-dimethylphenyl)boronic acid
SMILESCOc1cc(C)c(B(O)O)c(C)c1
InChIInChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3
InChIKeyUOSSBXMFWPYHEF-UHFFFAOYSA-N
XLogP-0.01
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.01
LogP ≤ 5-0.01
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

bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
CID 642713
bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
CID 14362702
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
CID 86686389
(2,6-dimethyl-4-methylsulfanylphenyl)boronic acid
CID 141369981
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
1-N,1-N,2-N,2-N-tetrakis(4-methoxy-2,6-dimethylphenyl)ethanediimidamide
CID 141004393
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
CID 83136870
2-chloro-5-methoxy-3-methylphenol
CID 144544904
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,6-dimethylphenyl)boronic acid?
The IUPAC name of (4-methoxy-2,6-dimethylphenyl)boronic acid (CID 3716303) is (4-methoxy-2,6-dimethylphenyl)boronic acid.
What is the SMILES notation for (4-methoxy-2,6-dimethylphenyl)boronic acid?
The canonical SMILES for (4-methoxy-2,6-dimethylphenyl)boronic acid is COc1cc(C)c(B(O)O)c(C)c1.
What is the InChIKey of (4-methoxy-2,6-dimethylphenyl)boronic acid?
The InChIKey is UOSSBXMFWPYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3.
What are the key properties of (4-methoxy-2,6-dimethylphenyl)boronic acid?
(4-methoxy-2,6-dimethylphenyl)boronic acid has a molecular weight of 180.01 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,6-dimethylphenyl)boronic acid is sourced from PubChem (CID 3716303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).