(2-methoxy-5-methylphenyl)boronic acid

C8H11BO3 — CID 2773485

IUPAC(2-methoxy-5-methylphenyl)boronic acid
SMILESCOc1ccc(C)cc1B(O)O
InChIInChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChIKeyCSVKZOZMPSRLTC-UHFFFAOYSA-N
MW165.98 g/mol
LogP-0.32
Rot. Bonds2

About (2-methoxy-5-methylphenyl)boronic acid

(2-methoxy-5-methylphenyl)boronic acid (PubChem CID 2773485) has the molecular formula C8H11BO3 and a molecular weight of 165.98 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)boronic acid
PubChem CID2773485
Molecular FormulaC8H11BO3
Molecular Weight165.98 g/mol
Exact Mass166.08
IUPAC Name(2-methoxy-5-methylphenyl)boronic acid
SMILESCOc1ccc(C)cc1B(O)O
InChIInChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChIKeyCSVKZOZMPSRLTC-UHFFFAOYSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.98
LogP ≤ 5-0.32
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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
3-borono-4-methoxybenzoic acid
CID 42614541
[2-methoxy-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]boronic acid
CID 62766582
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
[5-(bromomethyl)-2-methoxyphenyl]boronic acid
CID 100973715
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
(2-methoxyphenyl)boronic acid;toluene
CID 159956839
[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]boronic acid
CID 64735720
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
CID 175002505
CID 175002505
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)boronic acid?
The IUPAC name of (2-methoxy-5-methylphenyl)boronic acid (CID 2773485) is (2-methoxy-5-methylphenyl)boronic acid.
What is the SMILES notation for (2-methoxy-5-methylphenyl)boronic acid?
The canonical SMILES for (2-methoxy-5-methylphenyl)boronic acid is COc1ccc(C)cc1B(O)O.
What is the InChIKey of (2-methoxy-5-methylphenyl)boronic acid?
The InChIKey is CSVKZOZMPSRLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3.
What are the key properties of (2-methoxy-5-methylphenyl)boronic acid?
(2-methoxy-5-methylphenyl)boronic acid has a molecular weight of 165.98 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)boronic acid is sourced from PubChem (CID 2773485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).