(4-fluoro-3-methyl-5-phenylphenyl)boronic acid

C13H12BFO2 — CID 164891668

IUPAC(4-fluoro-3-methyl-5-phenylphenyl)boronic acid
SMILESCc1cc(B(O)O)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H12BFO2/c1-9-7-11(14(16)17)8-12(13(9)15)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKeyFUOWOECDVLJNKS-UHFFFAOYSA-N
MW230.05 g/mol
LogP1.48
Rot. Bonds2

About (4-fluoro-3-methyl-5-phenylphenyl)boronic acid

(4-fluoro-3-methyl-5-phenylphenyl)boronic acid (PubChem CID 164891668) has the molecular formula C13H12BFO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is (4-fluoro-3-methyl-5-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(4-fluoro-3-methyl-5-phenylphenyl)boronic acid
PubChem CID164891668
Molecular FormulaC13H12BFO2
Molecular Weight230.05 g/mol
Exact Mass230.09
IUPAC Name(4-fluoro-3-methyl-5-phenylphenyl)boronic acid
SMILESCc1cc(B(O)O)cc(-c2ccccc2)c1F
InChIInChI=1S/C13H12BFO2/c1-9-7-11(14(16)17)8-12(13(9)15)10-5-3-2-4-6-10/h2-8,16-17H,1H3
InChIKeyFUOWOECDVLJNKS-UHFFFAOYSA-N
XLogP1.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 51.48
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

3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
CID 164927245
2-fluoro-1,3,5-triphenylbenzene
CID 146653815
2-fluoro-6-methyl-3-phenylphenol
CID 66800848
[3-[2-(2-phenylphenyl)phenyl]phenyl]boronic acid
CID 69442046
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
ethane;[3-(3-phenylphenyl)phenyl]boronic acid
CID 143904580
ethane;phenylboronic acid
CID 54560949
(3-bromo-5-phenylphenyl)boronic acid
CID 127256083
1-methyl-2-phenylbenzene;sulfane;trifluoroborane
CID 175768148
[3-(4-phenylphenyl)phenyl]boronic acid
CID 71235180

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-5-phenylphenyl)boronic acid?
The IUPAC name of (4-fluoro-3-methyl-5-phenylphenyl)boronic acid (CID 164891668) is (4-fluoro-3-methyl-5-phenylphenyl)boronic acid.
What is the SMILES notation for (4-fluoro-3-methyl-5-phenylphenyl)boronic acid?
The canonical SMILES for (4-fluoro-3-methyl-5-phenylphenyl)boronic acid is Cc1cc(B(O)O)cc(-c2ccccc2)c1F.
What is the InChIKey of (4-fluoro-3-methyl-5-phenylphenyl)boronic acid?
The InChIKey is FUOWOECDVLJNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BFO2/c1-9-7-11(14(16)17)8-12(13(9)15)10-5-3-2-4-6-10/h2-8,16-17H,1H3.
What are the key properties of (4-fluoro-3-methyl-5-phenylphenyl)boronic acid?
(4-fluoro-3-methyl-5-phenylphenyl)boronic acid has a molecular weight of 230.05 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-5-phenylphenyl)boronic acid is sourced from PubChem (CID 164891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).