(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid

C9H12BFO4 — CID 164895481

IUPAC(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
SMILESCCOc1ccc(OC)c(B(O)O)c1F
InChIInChI=1S/C9H12BFO4/c1-3-15-7-5-4-6(14-2)8(9(7)11)10(12)13/h4-5,12-13H,3H2,1-2H3
InChIKeyFMUKANLCVGBLDQ-UHFFFAOYSA-N
MW214.00 g/mol
LogP-0.09
Rot. Bonds4

About (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid

(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid (PubChem CID 164895481) has the molecular formula C9H12BFO4 and a molecular weight of 214.00 g/mol. Its IUPAC name is (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
PubChem CID164895481
Molecular FormulaC9H12BFO4
Molecular Weight214.00 g/mol
Exact Mass214.08
IUPAC Name(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
SMILESCCOc1ccc(OC)c(B(O)O)c1F
InChIInChI=1S/C9H12BFO4/c1-3-15-7-5-4-6(14-2)8(9(7)11)10(12)13/h4-5,12-13H,3H2,1-2H3
InChIKeyFMUKANLCVGBLDQ-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

(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
[6-chloro-2-fluoro-3-(methoxymethoxy)phenyl]boronic acid
CID 138987196
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
[2,3-difluoro-6-(methoxymethoxy)phenyl]boronic acid
CID 138987194
(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxyboronic acid
CID 172852469
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
1-butoxy-2,3-difluoro-4-methoxybenzene
CID 118933366
(2,6-dichloro-3-ethoxyphenyl)boronic acid
CID 171367474
1-butoxy-2,3-difluoro-4-octoxybenzene;bis(2,3-difluoro-1-heptoxy-4-propoxybenzene);2,3-difluoro-1-methoxy-4-nonoxybenzene;2,3-difluoro-1-methoxy-4-octoxybenzene;1-ethoxy-2,3-difluoro-4-octoxybenzene
CID 158241991
(2,5-diethoxyphenyl)boronic acid
CID 45094210

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid?
The IUPAC name of (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid (CID 164895481) is (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid.
What is the SMILES notation for (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid?
The canonical SMILES for (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid is CCOc1ccc(OC)c(B(O)O)c1F.
What is the InChIKey of (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid?
The InChIKey is FMUKANLCVGBLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BFO4/c1-3-15-7-5-4-6(14-2)8(9(7)11)10(12)13/h4-5,12-13H,3H2,1-2H3.
What are the key properties of (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid?
(3-ethoxy-2-fluoro-6-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 (3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid is sourced from PubChem (CID 164895481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).