[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid

C13H12BFO3 — CID 43327857

IUPAC[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
SMILESOB(O)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C13H12BFO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2
InChIKeyUMSPHQRRVCBNDV-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.08
Rot. Bonds4

About [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid

[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid (PubChem CID 43327857) has the molecular formula C13H12BFO3 and a molecular weight of 246.05 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
PubChem CID43327857
Molecular FormulaC13H12BFO3
Molecular Weight246.05 g/mol
Exact Mass246.09
IUPAC Name[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
SMILESOB(O)c1ccccc1OCc1ccccc1F
InChIInChI=1S/C13H12BFO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2
InChIKeyUMSPHQRRVCBNDV-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.08
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

[2-[(2-cyanophenyl)methoxy]phenyl]boronic acid
CID 43145286
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 2063523
(2-ethoxyphenyl)boronic acid
CID 2734902
[2-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorophenyl]boronic acid
CID 103047110
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene;N-propan-2-ylidenehydroxylamine
CID 174820593
[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
(2-propoxyphenyl)boronic acid
CID 4219796
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid?
The IUPAC name of [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid (CID 43327857) is [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid is OB(O)c1ccccc1OCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid?
The InChIKey is UMSPHQRRVCBNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BFO3/c15-12-7-3-1-5-10(12)9-18-13-8-4-2-6-11(13)14(16)17/h1-8,16-17H,9H2.
What are the key properties of [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid?
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid has a molecular weight of 246.05 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 43327857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).