[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid

C15H19BO4 — CID 106454176

IUPAC[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
SMILESCCCOCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C15H19BO4/c1-2-9-19-10-11-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17)18/h3-8,17-18H,2,9-11H2,1H3
InChIKeyQOJUFBQSDMXGAV-UHFFFAOYSA-N
MW274.12 g/mol
LogP1.33
Rot. Bonds7

About [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid

[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid (PubChem CID 106454176) has the molecular formula C15H19BO4 and a molecular weight of 274.12 g/mol. Its IUPAC name is [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
PubChem CID106454176
Molecular FormulaC15H19BO4
Molecular Weight274.12 g/mol
Exact Mass274.14
IUPAC Name[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid
SMILESCCCOCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C15H19BO4/c1-2-9-19-10-11-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17)18/h3-8,17-18H,2,9-11H2,1H3
InChIKeyQOJUFBQSDMXGAV-UHFFFAOYSA-N
XLogP1.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 51.33
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

[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
CID 61483476
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
CID 54911339
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
[2-(3-methylbut-3-enoxy)naphthalen-1-yl]boronic acid
CID 114472965
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254
2-[2-[2-[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethoxy]ethoxy]ethanol
CID 12994977
1-ethyl-2-propoxynaphthalene
CID 129259410
(2-ethoxynaphthalen-1-yl)-dimethylborane
CID 67978534
[3-chloro-4-(2-propoxyethoxy)phenyl]boronic acid
CID 131397362

Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid?
The IUPAC name of [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid (CID 106454176) is [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid?
The canonical SMILES for [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid is CCCOCCOc1ccc2ccccc2c1B(O)O.
What is the InChIKey of [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid?
The InChIKey is QOJUFBQSDMXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BO4/c1-2-9-19-10-11-20-14-8-7-12-5-3-4-6-13(12)15(14)16(17)18/h3-8,17-18H,2,9-11H2,1H3.
What are the key properties of [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid?
[2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid has a molecular weight of 274.12 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyethoxy)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 106454176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).