[2-(1-methoxypentyl)phenyl]boronic acid

C12H19BO3 — CID 175171768

IUPAC[2-(1-methoxypentyl)phenyl]boronic acid
SMILESCCCCC(OC)c1ccccc1B(O)O
InChIInChI=1S/C12H19BO3/c1-3-4-9-12(16-2)10-7-5-6-8-11(10)13(14)15/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyWRNCADWOKYVTDN-UHFFFAOYSA-N
MW222.09 g/mol
LogP1.24
Rot. Bonds6

About [2-(1-methoxypentyl)phenyl]boronic acid

[2-(1-methoxypentyl)phenyl]boronic acid (PubChem CID 175171768) has the molecular formula C12H19BO3 and a molecular weight of 222.09 g/mol. Its IUPAC name is [2-(1-methoxypentyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(1-methoxypentyl)phenyl]boronic acid
PubChem CID175171768
Molecular FormulaC12H19BO3
Molecular Weight222.09 g/mol
Exact Mass222.14
IUPAC Name[2-(1-methoxypentyl)phenyl]boronic acid
SMILESCCCCC(OC)c1ccccc1B(O)O
InChIInChI=1S/C12H19BO3/c1-3-4-9-12(16-2)10-7-5-6-8-11(10)13(14)15/h5-8,12,14-15H,3-4,9H2,1-2H3
InChIKeyWRNCADWOKYVTDN-UHFFFAOYSA-N
XLogP1.24
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 51.24
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

1-(2-bromoethynyl)-2-[(1S)-1-methoxypentyl]benzene
CID 132508101
[4-[4-(1-methoxypentyl)phenyl]phenyl]boronic acid
CID 175171788
(2-non-1-en-5-ylphenyl)boronic acid
CID 174752901
[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid
CID 175028933
1-(1-ethoxypentyl)-2-methoxybenzene
CID 141341766
2-[(1S)-1-acetyloxypentyl]benzoic acid
CID 71606428
1-(2-chlorophenyl)pentyl acetate
CID 141200843
1-(1-hydroperoxyundecyl)-2-methylbenzene
CID 87550617
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
[2-(1-hydroxyhexyl)phenoxy]boronic acid
CID 70583904
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxypentyl)phenyl]boronic acid?
The IUPAC name of [2-(1-methoxypentyl)phenyl]boronic acid (CID 175171768) is [2-(1-methoxypentyl)phenyl]boronic acid.
What is the SMILES notation for [2-(1-methoxypentyl)phenyl]boronic acid?
The canonical SMILES for [2-(1-methoxypentyl)phenyl]boronic acid is CCCCC(OC)c1ccccc1B(O)O.
What is the InChIKey of [2-(1-methoxypentyl)phenyl]boronic acid?
The InChIKey is WRNCADWOKYVTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO3/c1-3-4-9-12(16-2)10-7-5-6-8-11(10)13(14)15/h5-8,12,14-15H,3-4,9H2,1-2H3.
What are the key properties of [2-(1-methoxypentyl)phenyl]boronic acid?
[2-(1-methoxypentyl)phenyl]boronic acid has a molecular weight of 222.09 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypentyl)phenyl]boronic acid is sourced from PubChem (CID 175171768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).