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

C16H21BO4 — CID 61483476

IUPAC[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
SMILESCCCCOCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C16H21BO4/c1-2-3-10-20-11-12-21-15-9-8-13-6-4-5-7-14(13)16(15)17(18)19/h4-9,18-19H,2-3,10-12H2,1H3
InChIKeyXOXMMGWQFHNVNA-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.72
Rot. Bonds8

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

[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid (PubChem CID 61483476) has the molecular formula C16H21BO4 and a molecular weight of 288.15 g/mol. Its IUPAC name is [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid.

Molecular Properties

Compound Name[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
PubChem CID61483476
Molecular FormulaC16H21BO4
Molecular Weight288.15 g/mol
Exact Mass288.15
IUPAC Name[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid
SMILESCCCCOCCOc1ccc2ccccc2c1B(O)O
InChIInChI=1S/C16H21BO4/c1-2-3-10-20-11-12-21-15-9-8-13-6-4-5-7-14(13)16(15)17(18)19/h4-9,18-19H,2-3,10-12H2,1H3
InChIKeyXOXMMGWQFHNVNA-UHFFFAOYSA-N
XLogP1.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.72
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-propoxyethoxy)naphthalen-1-yl]boronic acid
CID 106454176
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
CID 54911339
[2-(3-methylbut-3-enoxy)naphthalen-1-yl]boronic acid
CID 114472965
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
[2-[(E)-but-2-enoxy]naphthalen-1-yl]boronic acid
CID 54911168
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
1,4-dibutoxynaphthalene
CID 22016411
1-bromo-2-(2-propoxyethoxy)naphthalene
CID 106452980
1-butoxynaphthalene
CID 13262700
(2-propan-2-yloxynaphthalen-1-yl)boronic acid
CID 54911254

Frequently Asked Questions

What is the IUPAC name of [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid?
The IUPAC name of [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid (CID 61483476) is [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid.
What is the SMILES notation for [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid?
The canonical SMILES for [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid is CCCCOCCOc1ccc2ccccc2c1B(O)O.
What is the InChIKey of [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid?
The InChIKey is XOXMMGWQFHNVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BO4/c1-2-3-10-20-11-12-21-15-9-8-13-6-4-5-7-14(13)16(15)17(18)19/h4-9,18-19H,2-3,10-12H2,1H3.
What are the key properties of [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid?
[2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid has a molecular weight of 288.15 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butoxyethoxy)naphthalen-1-yl]boronic acid is sourced from PubChem (CID 61483476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).