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

C14H14BFO3 — CID 114346391

IUPAC[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
SMILESCc1cc(F)ccc1COc1cccc(B(O)O)c1
InChIInChI=1S/C14H14BFO3/c1-10-7-13(16)6-5-11(10)9-19-14-4-2-3-12(8-14)15(17)18/h2-8,17-18H,9H2,1H3
InChIKeyQLNBEQSPCDXPHP-UHFFFAOYSA-N
MW260.07 g/mol
LogP1.39
Rot. Bonds4

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

[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid (PubChem CID 114346391) has the molecular formula C14H14BFO3 and a molecular weight of 260.07 g/mol. Its IUPAC name is [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
PubChem CID114346391
Molecular FormulaC14H14BFO3
Molecular Weight260.07 g/mol
Exact Mass260.10
IUPAC Name[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
SMILESCc1cc(F)ccc1COc1cccc(B(O)O)c1
InChIInChI=1S/C14H14BFO3/c1-10-7-13(16)6-5-11(10)9-19-14-4-2-3-12(8-14)15(17)18/h2-8,17-18H,9H2,1H3
InChIKeyQLNBEQSPCDXPHP-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'}

Analyze [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
CID 105404414
(1S)-1-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894054
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]but-3-yn-1-ol
CID 114348429
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
4-[(4-fluorophenoxy)methyl]-3-methylphenol
CID 117219687
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid?
The IUPAC name of [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid (CID 114346391) is [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid is Cc1cc(F)ccc1COc1cccc(B(O)O)c1.
What is the InChIKey of [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid?
The InChIKey is QLNBEQSPCDXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BFO3/c1-10-7-13(16)6-5-11(10)9-19-14-4-2-3-12(8-14)15(17)18/h2-8,17-18H,9H2,1H3.
What are the key properties of [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid?
[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]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 [3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 114346391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).