(6-cyclobutyloxynaphthalen-2-yl)boronic acid

C14H15BO3 — CID 140913385

IUPAC(6-cyclobutyloxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc(OC3CCC3)ccc2c1
InChIInChI=1S/C14H15BO3/c16-15(17)12-6-4-11-9-14(7-5-10(11)8-12)18-13-2-1-3-13/h4-9,13,16-17H,1-3H2
InChIKeyBQKOZVNJCXJPBK-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.45
Rot. Bonds3

About (6-cyclobutyloxynaphthalen-2-yl)boronic acid

(6-cyclobutyloxynaphthalen-2-yl)boronic acid (PubChem CID 140913385) has the molecular formula C14H15BO3 and a molecular weight of 242.08 g/mol. Its IUPAC name is (6-cyclobutyloxynaphthalen-2-yl)boronic acid.

Molecular Properties

Compound Name(6-cyclobutyloxynaphthalen-2-yl)boronic acid
PubChem CID140913385
Molecular FormulaC14H15BO3
Molecular Weight242.08 g/mol
Exact Mass242.11
IUPAC Name(6-cyclobutyloxynaphthalen-2-yl)boronic acid
SMILESOB(O)c1ccc2cc(OC3CCC3)ccc2c1
InChIInChI=1S/C14H15BO3/c16-15(17)12-6-4-11-9-14(7-5-10(11)8-12)18-13-2-1-3-13/h4-9,13,16-17H,1-3H2
InChIKeyBQKOZVNJCXJPBK-UHFFFAOYSA-N
XLogP1.45
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
(4-cyclopentyloxy-2-methylphenyl)boronic acid
CID 83140342
2-cyclopentyloxy-6-hydroxysulfanylnaphthalene
CID 135175413
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
(5-cyclobutyloxy-3-pyridinyl)boronic acid
CID 66521116
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
(3-cyclopentyloxy-5-fluorophenyl)boronic acid
CID 81332075
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
CID 64747544
[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
CID 65175268
5-cycloheptyloxy-1H-indole
CID 82923976

Frequently Asked Questions

What is the IUPAC name of (6-cyclobutyloxynaphthalen-2-yl)boronic acid?
The IUPAC name of (6-cyclobutyloxynaphthalen-2-yl)boronic acid (CID 140913385) is (6-cyclobutyloxynaphthalen-2-yl)boronic acid.
What is the SMILES notation for (6-cyclobutyloxynaphthalen-2-yl)boronic acid?
The canonical SMILES for (6-cyclobutyloxynaphthalen-2-yl)boronic acid is OB(O)c1ccc2cc(OC3CCC3)ccc2c1.
What is the InChIKey of (6-cyclobutyloxynaphthalen-2-yl)boronic acid?
The InChIKey is BQKOZVNJCXJPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO3/c16-15(17)12-6-4-11-9-14(7-5-10(11)8-12)18-13-2-1-3-13/h4-9,13,16-17H,1-3H2.
What are the key properties of (6-cyclobutyloxynaphthalen-2-yl)boronic acid?
(6-cyclobutyloxynaphthalen-2-yl)boronic acid has a molecular weight of 242.08 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclobutyloxynaphthalen-2-yl)boronic acid is sourced from PubChem (CID 140913385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).