[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid

C15H19BO3 — CID 154732260

IUPAC[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid
SMILESCC(C)(C)COc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H19BO3/c1-15(2,3)10-19-14-7-5-11-8-13(16(17)18)6-4-12(11)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyONVLVDJUIHKUSF-UHFFFAOYSA-N
MW258.13 g/mol
LogP1.94
Rot. Bonds3

About [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid

[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid (PubChem CID 154732260) has the molecular formula C15H19BO3 and a molecular weight of 258.13 g/mol. Its IUPAC name is [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid.

Molecular Properties

Compound Name[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid
PubChem CID154732260
Molecular FormulaC15H19BO3
Molecular Weight258.13 g/mol
Exact Mass258.14
IUPAC Name[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid
SMILESCC(C)(C)COc1ccc2cc(B(O)O)ccc2c1
InChIInChI=1S/C15H19BO3/c1-15(2,3)10-19-14-7-5-11-8-13(16(17)18)6-4-12(11)9-14/h4-9,17-18H,10H2,1-3H3
InChIKeyONVLVDJUIHKUSF-UHFFFAOYSA-N
XLogP1.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 51.94
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

[6-(2-hydroxyethoxy)naphthalen-2-yl]boronic acid
CID 67996313
[6-(3-ethoxypropoxy)naphthalen-2-yl]boronic acid
CID 65175268
[6-(2-methylpentoxy)naphthalen-2-yl]boronic acid
CID 63549209
[7-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
CID 167739118
[4-(2,2-dimethylpropoxy)-3-isocyanophenyl]boronic acid
CID 58516378
[6-(2,2-dimethylpropoxy)-3-pyridinyl]boronic acid
CID 57460911
[6-[(2-methylpropan-2-yl)oxycarbonyl]naphthalen-2-yl]boronic acid
CID 133059658
[6-(oxan-4-ylmethoxy)naphthalen-2-yl]boronic acid
CID 62386802
(6-methylnaphthalen-2-yl)boronic acid
CID 55276688
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637

Frequently Asked Questions

What is the IUPAC name of [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid?
The IUPAC name of [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid (CID 154732260) is [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid.
What is the SMILES notation for [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid?
The canonical SMILES for [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid is CC(C)(C)COc1ccc2cc(B(O)O)ccc2c1.
What is the InChIKey of [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid?
The InChIKey is ONVLVDJUIHKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BO3/c1-15(2,3)10-19-14-7-5-11-8-13(16(17)18)6-4-12(11)9-14/h4-9,17-18H,10H2,1-3H3.
What are the key properties of [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid?
[6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid has a molecular weight of 258.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-dimethylpropoxy)naphthalen-2-yl]boronic acid is sourced from PubChem (CID 154732260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).