[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid

C15H25BO7 — CID 101488478

IUPAC[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
SMILESCOCCOCCOCCOCCOc1ccc(B(O)O)cc1
InChIInChI=1S/C15H25BO7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5,17-18H,6-13H2,1H3
InChIKeyMHSJKYDLUAHNBQ-UHFFFAOYSA-N
MW328.17 g/mol
LogP-0.56
Rot. Bonds14

About [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid

[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid (PubChem CID 101488478) has the molecular formula C15H25BO7 and a molecular weight of 328.17 g/mol. Its IUPAC name is [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
PubChem CID101488478
Molecular FormulaC15H25BO7
Molecular Weight328.17 g/mol
Exact Mass328.17
IUPAC Name[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
SMILESCOCCOCCOCCOCCOc1ccc(B(O)O)cc1
InChIInChI=1S/C15H25BO7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5,17-18H,6-13H2,1H3
InChIKeyMHSJKYDLUAHNBQ-UHFFFAOYSA-N
XLogP-0.56
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
CID 54971073
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
[4-[2-(4,4,4-trifluorobutoxy)ethoxy]phenyl]boronic acid
CID 82789983
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 154643071
[4-(3-chloropropoxy)phenyl]boronic acid
CID 67281130
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
CID 123427341
CID 123427341

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid?
The IUPAC name of [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid (CID 101488478) is [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid?
The canonical SMILES for [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid is COCCOCCOCCOCCOc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid?
The InChIKey is MHSJKYDLUAHNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO7/c1-19-6-7-20-8-9-21-10-11-22-12-13-23-15-4-2-14(3-5-15)16(17)18/h2-5,17-18H,6-13H2,1H3.
What are the key properties of [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid?
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid has a molecular weight of 328.17 g/mol, XLogP of -0.56, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid is sourced from PubChem (CID 101488478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).