(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid

C9H12BFO4 — CID 164891882

IUPAC(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
SMILESCCOc1c(F)cc(B(O)O)cc1OC
InChIInChI=1S/C9H12BFO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3
InChIKeyOQOIAEINOHRUCE-UHFFFAOYSA-N
MW214.00 g/mol
LogP-0.09
Rot. Bonds4

About (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid

(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid (PubChem CID 164891882) has the molecular formula C9H12BFO4 and a molecular weight of 214.00 g/mol. Its IUPAC name is (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
PubChem CID164891882
Molecular FormulaC9H12BFO4
Molecular Weight214.00 g/mol
Exact Mass214.08
IUPAC Name(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
SMILESCCOc1c(F)cc(B(O)O)cc1OC
InChIInChI=1S/C9H12BFO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3
InChIKeyOQOIAEINOHRUCE-UHFFFAOYSA-N
XLogP-0.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.00
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-diethoxy-5-fluorophenyl)boronic acid
CID 164894924
[4-(difluoromethoxy)-3-fluoro-5-methoxyphenyl]boronic acid
CID 164894423
(3-ethoxy-4-fluoro-5-methylsulfanylphenyl)boronic acid
CID 164891608
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
4-ethoxy-2,3,5-trifluorophenol
CID 174599301
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
(3-bromo-2-ethoxy-6-fluorophenyl)boronic acid
CID 44558166

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid?
The IUPAC name of (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid (CID 164891882) is (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid.
What is the SMILES notation for (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid?
The canonical SMILES for (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid is CCOc1c(F)cc(B(O)O)cc1OC.
What is the InChIKey of (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid?
The InChIKey is OQOIAEINOHRUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BFO4/c1-3-15-9-7(11)4-6(10(12)13)5-8(9)14-2/h4-5,12-13H,3H2,1-2H3.
What are the key properties of (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid?
(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid has a molecular weight of 214.00 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid is sourced from PubChem (CID 164891882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).