[4-(2-methylbutyl)phenyl]boronic acid

C11H17BO2 — CID 18754957

IUPAC[4-(2-methylbutyl)phenyl]boronic acid
SMILESCCC(C)Cc1ccc(B(O)O)cc1
InChIInChI=1S/C11H17BO2/c1-3-9(2)8-10-4-6-11(7-5-10)12(13)14/h4-7,9,13-14H,3,8H2,1-2H3
InChIKeyNJBDXCQKQXYTEH-UHFFFAOYSA-N
MW192.07 g/mol
LogP0.95
Rot. Bonds4

About [4-(2-methylbutyl)phenyl]boronic acid

[4-(2-methylbutyl)phenyl]boronic acid (PubChem CID 18754957) has the molecular formula C11H17BO2 and a molecular weight of 192.07 g/mol. Its IUPAC name is [4-(2-methylbutyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-methylbutyl)phenyl]boronic acid
PubChem CID18754957
Molecular FormulaC11H17BO2
Molecular Weight192.07 g/mol
Exact Mass192.13
IUPAC Name[4-(2-methylbutyl)phenyl]boronic acid
SMILESCCC(C)Cc1ccc(B(O)O)cc1
InChIInChI=1S/C11H17BO2/c1-3-9(2)8-10-4-6-11(7-5-10)12(13)14/h4-7,9,13-14H,3,8H2,1-2H3
InChIKeyNJBDXCQKQXYTEH-UHFFFAOYSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54970429
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
[4-(2-methylbutoxy)phenyl]boronic acid
CID 62104576
formaldehyde;1-methyl-4-(2-methylbutyl)benzene
CID 143236225
[4-[(2R)-2-amino-3-hydroxypropyl]phenyl]boronic acid
CID 101159032
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
CID 174033057
CID 174033057
[4-(3-methyl-2-oxobutyl)phenyl]boronic acid
CID 90365047
1-ethenyl-4-(2-methylbutyl)benzene
CID 22475803
1-(2-methylbutyl)-4-[4-[4-(2-methylbutyl)phenyl]buta-1,3-diynyl]benzene
CID 86002723
1-[4-[4-[(2S)-2-methylbutyl]phenyl]phenyl]ethanone
CID 97304566

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutyl)phenyl]boronic acid?
The IUPAC name of [4-(2-methylbutyl)phenyl]boronic acid (CID 18754957) is [4-(2-methylbutyl)phenyl]boronic acid.
What is the SMILES notation for [4-(2-methylbutyl)phenyl]boronic acid?
The canonical SMILES for [4-(2-methylbutyl)phenyl]boronic acid is CCC(C)Cc1ccc(B(O)O)cc1.
What is the InChIKey of [4-(2-methylbutyl)phenyl]boronic acid?
The InChIKey is NJBDXCQKQXYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO2/c1-3-9(2)8-10-4-6-11(7-5-10)12(13)14/h4-7,9,13-14H,3,8H2,1-2H3.
What are the key properties of [4-(2-methylbutyl)phenyl]boronic acid?
[4-(2-methylbutyl)phenyl]boronic acid has a molecular weight of 192.07 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutyl)phenyl]boronic acid is sourced from PubChem (CID 18754957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).