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

C14H14BFO4 — CID 104792588

IUPAC[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
SMILESCOc1cccc(COc2cccc(B(O)O)c2)c1F
InChIInChI=1S/C14H14BFO4/c1-19-13-7-2-4-10(14(13)16)9-20-12-6-3-5-11(8-12)15(17)18/h2-8,17-18H,9H2,1H3
InChIKeyXTQZFVRUEBIUBT-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.09
Rot. Bonds5

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

[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid (PubChem CID 104792588) has the molecular formula C14H14BFO4 and a molecular weight of 276.07 g/mol. Its IUPAC name is [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
PubChem CID104792588
Molecular FormulaC14H14BFO4
Molecular Weight276.07 g/mol
Exact Mass276.10
IUPAC Name[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
SMILESCOc1cccc(COc2cccc(B(O)O)c2)c1F
InChIInChI=1S/C14H14BFO4/c1-19-13-7-2-4-10(14(13)16)9-20-12-6-3-5-11(8-12)15(17)18/h2-8,17-18H,9H2,1H3
InChIKeyXTQZFVRUEBIUBT-UHFFFAOYSA-N
XLogP1.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[(2-fluoro-3-methoxyphenyl)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-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
CID 114346391
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
CID 58021961
1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104794301
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
CID 105404414
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
(3-methoxyphenyl)boronic acid
CID 2734370
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]propan-2-ol
CID 104792506

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid?
The IUPAC name of [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid (CID 104792588) is [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid is COc1cccc(COc2cccc(B(O)O)c2)c1F.
What is the InChIKey of [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid?
The InChIKey is XTQZFVRUEBIUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BFO4/c1-19-13-7-2-4-10(14(13)16)9-20-12-6-3-5-11(8-12)15(17)18/h2-8,17-18H,9H2,1H3.
What are the key properties of [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid?
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid has a molecular weight of 276.07 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 104792588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).