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

C12H19BO5 — CID 54971073

IUPAC[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
SMILESCCOCCOCCOc1ccc(B(O)O)cc1
InChIInChI=1S/C12H19BO5/c1-2-16-7-8-17-9-10-18-12-5-3-11(4-6-12)13(14)15/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHHNMFIGWSOXDEN-UHFFFAOYSA-N
MW254.09 g/mol
LogP-0.20
Rot. Bonds9

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

[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid (PubChem CID 54971073) has the molecular formula C12H19BO5 and a molecular weight of 254.09 g/mol. Its IUPAC name is [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
PubChem CID54971073
Molecular FormulaC12H19BO5
Molecular Weight254.09 g/mol
Exact Mass254.13
IUPAC Name[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
SMILESCCOCCOCCOc1ccc(B(O)O)cc1
InChIInChI=1S/C12H19BO5/c1-2-16-7-8-17-9-10-18-12-5-3-11(4-6-12)13(14)15/h3-6,14-15H,2,7-10H2,1H3
InChIKeyHHNMFIGWSOXDEN-UHFFFAOYSA-N
XLogP-0.20
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
[4-[2-(1-ethoxypropan-2-yloxy)ethoxy]phenyl]boronic acid
CID 103489571
[4-[2-(4,4,4-trifluorobutoxy)ethoxy]phenyl]boronic acid
CID 82789983
[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
CID 65175268
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
propan-2-ol;(4-propoxyphenyl)boronic acid
CID 159466801
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
4-(2-ethoxyethoxy)aniline
CID 16641299
[4-(3-chloropropoxy)phenyl]boronic acid
CID 67281130
4-[2-(2-ethoxyethoxy)ethoxy]benzenesulfonic acid
CID 20595012
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid?
The IUPAC name of [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid (CID 54971073) is [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid?
The canonical SMILES for [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid is CCOCCOCCOc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid?
The InChIKey is HHNMFIGWSOXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO5/c1-2-16-7-8-17-9-10-18-12-5-3-11(4-6-12)13(14)15/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid?
[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid has a molecular weight of 254.09 g/mol, XLogP of -0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 54971073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).