[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid

C10H15BO4 — CID 131700786

IUPAC[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
SMILESCOCCOc1cccc(B(O)O)c1C
InChIInChI=1S/C10H15BO4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5,12-13H,6-7H2,1-2H3
InChIKeyVLDUPAIQRWBPSN-UHFFFAOYSA-N
MW210.04 g/mol
LogP-0.30
Rot. Bonds5

About [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid

[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid (PubChem CID 131700786) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
PubChem CID131700786
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
SMILESCOCCOc1cccc(B(O)O)c1C
InChIInChI=1S/C10H15BO4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5,12-13H,6-7H2,1-2H3
InChIKeyVLDUPAIQRWBPSN-UHFFFAOYSA-N
XLogP-0.30
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
[2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648198
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126
methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzoate
CID 11109738
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene
CID 10859628
1-(chloromethyl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylbenzene;ethane
CID 142063314
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
CID 104564329
1-[3-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]-N,N-dimethylmethanamine
CID 143655445
(2-propoxyphenyl)boronic acid
CID 4219796
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid?
The IUPAC name of [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid (CID 131700786) is [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid.
What is the SMILES notation for [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid?
The canonical SMILES for [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid is COCCOc1cccc(B(O)O)c1C.
What is the InChIKey of [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid?
The InChIKey is VLDUPAIQRWBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-8-9(11(12)13)4-3-5-10(8)15-7-6-14-2/h3-5,12-13H,6-7H2,1-2H3.
What are the key properties of [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid?
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid has a molecular weight of 210.04 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)-2-methylphenyl]boronic acid is sourced from PubChem (CID 131700786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).