(4-fluoro-2-methylphenoxy)boronic acid

C7H8BFO3 — CID 14579594

IUPAC(4-fluoro-2-methylphenoxy)boronic acid
SMILESCc1cc(F)ccc1OB(O)O
InChIInChI=1S/C7H8BFO3/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,10-11H,1H3
InChIKeyOAUQFVWJDJKRAF-UHFFFAOYSA-N
MW169.95 g/mol
LogP0.48
Rot. Bonds2

About (4-fluoro-2-methylphenoxy)boronic acid

(4-fluoro-2-methylphenoxy)boronic acid (PubChem CID 14579594) has the molecular formula C7H8BFO3 and a molecular weight of 169.95 g/mol. Its IUPAC name is (4-fluoro-2-methylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-fluoro-2-methylphenoxy)boronic acid
PubChem CID14579594
Molecular FormulaC7H8BFO3
Molecular Weight169.95 g/mol
Exact Mass170.06
IUPAC Name(4-fluoro-2-methylphenoxy)boronic acid
SMILESCc1cc(F)ccc1OB(O)O
InChIInChI=1S/C7H8BFO3/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,10-11H,1H3
InChIKeyOAUQFVWJDJKRAF-UHFFFAOYSA-N
XLogP0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.95
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-fluoro-2-methylphenoxy)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

(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
(4-fluoro-2,6-dimethylphenoxy)boronic acid
CID 165388238
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
(5-fluoro-2-methylsulfanylphenoxy)boronic acid
CID 142789183
ethane;4-fluoro-1-methoxy-2-methylbenzene
CID 143329013
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
CID 142792846
[2-(aminomethyl)-4-fluorophenoxy]boronic acid
CID 151062156
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid
CID 142696203
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenoxy)boronic acid?
The IUPAC name of (4-fluoro-2-methylphenoxy)boronic acid (CID 14579594) is (4-fluoro-2-methylphenoxy)boronic acid.
What is the SMILES notation for (4-fluoro-2-methylphenoxy)boronic acid?
The canonical SMILES for (4-fluoro-2-methylphenoxy)boronic acid is Cc1cc(F)ccc1OB(O)O.
What is the InChIKey of (4-fluoro-2-methylphenoxy)boronic acid?
The InChIKey is OAUQFVWJDJKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3/c1-5-4-6(9)2-3-7(5)12-8(10)11/h2-4,10-11H,1H3.
What are the key properties of (4-fluoro-2-methylphenoxy)boronic acid?
(4-fluoro-2-methylphenoxy)boronic acid has a molecular weight of 169.95 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenoxy)boronic acid is sourced from PubChem (CID 14579594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).