(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid

C8H10BFO4 — CID 164896102

IUPAC(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid
SMILESCCOc1c(O)cc(F)cc1B(O)O
InChIInChI=1S/C8H10BFO4/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4,11-13H,2H2,1H3
InChIKeyALYQQRVDLGBXBW-UHFFFAOYSA-N
MW199.97 g/mol
LogP-0.39
Rot. Bonds3

About (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid

(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid (PubChem CID 164896102) has the molecular formula C8H10BFO4 and a molecular weight of 199.97 g/mol. Its IUPAC name is (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid
PubChem CID164896102
Molecular FormulaC8H10BFO4
Molecular Weight199.97 g/mol
Exact Mass200.07
IUPAC Name(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid
SMILESCCOc1c(O)cc(F)cc1B(O)O
InChIInChI=1S/C8H10BFO4/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4,11-13H,2H2,1H3
InChIKeyALYQQRVDLGBXBW-UHFFFAOYSA-N
XLogP-0.39
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2,3,5-trifluorophenol
CID 174599301
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
(3-bromo-2-ethoxy-6-fluorophenyl)boronic acid
CID 44558166
(3,4-diethoxy-5-fluorophenyl)boronic acid
CID 164894924
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
(2-ethoxy-3-fluoro-4-propan-2-yloxyphenyl)boronic acid
CID 164896190
(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
5-chloro-2-ethoxy-3-methoxyphenol
CID 121210338
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
(2,5-diethoxyphenyl)boronic acid
CID 45094210

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid?
The IUPAC name of (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid (CID 164896102) is (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid.
What is the SMILES notation for (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid?
The canonical SMILES for (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid is CCOc1c(O)cc(F)cc1B(O)O.
What is the InChIKey of (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid?
The InChIKey is ALYQQRVDLGBXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO4/c1-2-14-8-6(9(12)13)3-5(10)4-7(8)11/h3-4,11-13H,2H2,1H3.
What are the key properties of (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid?
(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid has a molecular weight of 199.97 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid is sourced from PubChem (CID 164896102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).