[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid

C14H23BO6 — CID 104564329

IUPAC[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
SMILESCOCCOCCOCCOc1ccc(C)cc1B(O)O
InChIInChI=1S/C14H23BO6/c1-12-3-4-14(13(11-12)15(16)17)21-10-9-20-8-7-19-6-5-18-2/h3-4,11,16-17H,5-10H2,1-2H3
InChIKeyGMVAPVMCNWAFIS-UHFFFAOYSA-N
MW298.14 g/mol
LogP-0.27
Rot. Bonds11

About [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid

[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid (PubChem CID 104564329) has the molecular formula C14H23BO6 and a molecular weight of 298.14 g/mol. Its IUPAC name is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid.

Molecular Properties

Compound Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
PubChem CID104564329
Molecular FormulaC14H23BO6
Molecular Weight298.14 g/mol
Exact Mass298.16
IUPAC Name[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid
SMILESCOCCOCCOCCOc1ccc(C)cc1B(O)O
InChIInChI=1S/C14H23BO6/c1-12-3-4-14(13(11-12)15(16)17)21-10-9-20-8-7-19-6-5-18-2/h3-4,11,16-17H,5-10H2,1-2H3
InChIKeyGMVAPVMCNWAFIS-UHFFFAOYSA-N
XLogP-0.27
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-(2-methoxyethoxy)-5-methylphenol
CID 89108915
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
CID 142961182
1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
(1S)-1-[2-[2-(2-methoxyethoxy)ethoxy]-4-methylphenyl]ethanol
CID 78962768
2-[2-[2-[2-(2-acetyloxyethoxy)ethoxy]-4-methylphenoxy]ethoxy]ethyl acetate
CID 163667516
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-methyl-N-(4-methylphenyl)anilino)benzoic acid
CID 90352014

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid?
The IUPAC name of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid (CID 104564329) is [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid.
What is the SMILES notation for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid?
The canonical SMILES for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid is COCCOCCOCCOc1ccc(C)cc1B(O)O.
What is the InChIKey of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid?
The InChIKey is GMVAPVMCNWAFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BO6/c1-12-3-4-14(13(11-12)15(16)17)21-10-9-20-8-7-19-6-5-18-2/h3-4,11,16-17H,5-10H2,1-2H3.
What are the key properties of [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid?
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid has a molecular weight of 298.14 g/mol, XLogP of -0.27, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-methylphenyl]boronic acid is sourced from PubChem (CID 104564329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).