[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid

C14H14BFO3 — CID 83139837

IUPAC[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
SMILESCc1cc(OCc2cccc(F)c2)ccc1B(O)O
InChIInChI=1S/C14H14BFO3/c1-10-7-13(5-6-14(10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyHQTHIPYYVLZRKR-UHFFFAOYSA-N
MW260.07 g/mol
LogP1.39
Rot. Bonds4

About [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid

[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid (PubChem CID 83139837) has the molecular formula C14H14BFO3 and a molecular weight of 260.07 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
PubChem CID83139837
Molecular FormulaC14H14BFO3
Molecular Weight260.07 g/mol
Exact Mass260.10
IUPAC Name[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
SMILESCc1cc(OCc2cccc(F)c2)ccc1B(O)O
InChIInChI=1S/C14H14BFO3/c1-10-7-13(5-6-14(10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8,17-18H,9H2,1H3
InChIKeyHQTHIPYYVLZRKR-UHFFFAOYSA-N
XLogP1.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.07
LogP ≤ 51.39
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-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
CID 83140673
[4-[(3-cyano-4-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 107882715
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494
[3-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 79700938
1-[2-bromo-4-[(3-fluorophenyl)methoxy]phenyl]ethanone
CID 91863532
1-(chloromethyl)-2-fluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 155677507

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid?
The IUPAC name of [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid (CID 83139837) is [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid.
What is the SMILES notation for [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid?
The canonical SMILES for [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid is Cc1cc(OCc2cccc(F)c2)ccc1B(O)O.
What is the InChIKey of [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid?
The InChIKey is HQTHIPYYVLZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BFO3/c1-10-7-13(5-6-14(10)15(17)18)19-9-11-3-2-4-12(16)8-11/h2-8,17-18H,9H2,1H3.
What are the key properties of [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid?
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid has a molecular weight of 260.07 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid is sourced from PubChem (CID 83139837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).