(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid

C8H10BFO4 — CID 142696203

IUPAC(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid
SMILESCOc1c(C)ccc(OB(O)O)c1F
InChIInChI=1S/C8H10BFO4/c1-5-3-4-6(14-9(11)12)7(10)8(5)13-2/h3-4,11-12H,1-2H3
InChIKeyNWGYUZNIMZZIGU-UHFFFAOYSA-N
MW199.97 g/mol
LogP0.49
Rot. Bonds3

About (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid

(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid (PubChem CID 142696203) has the molecular formula C8H10BFO4 and a molecular weight of 199.97 g/mol. Its IUPAC name is (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid.

Molecular Properties

Compound Name(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid
PubChem CID142696203
Molecular FormulaC8H10BFO4
Molecular Weight199.97 g/mol
Exact Mass200.07
IUPAC Name(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid
SMILESCOc1c(C)ccc(OB(O)O)c1F
InChIInChI=1S/C8H10BFO4/c1-5-3-4-6(14-9(11)12)7(10)8(5)13-2/h3-4,11-12H,1-2H3
InChIKeyNWGYUZNIMZZIGU-UHFFFAOYSA-N
XLogP0.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.97
LogP ≤ 50.49
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-fluoro-2-methylphenoxy)boronic acid
CID 14579594
(5-fluoro-2-methylphenoxy)boronic acid
CID 142726725
[2,3-difluoro-4-(methoxymethoxy)phenoxy]boronic acid
CID 142634307
(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxyboronic acid
CID 172852469
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
1-ethenyl-2-fluoro-3-methoxy-4-methylbenzene
CID 145207098
(4-fluoro-2,6-dimethylphenoxy)boronic acid
CID 165388238
(6-methoxy-2-methyl-3-pyridinyl)oxyboronic acid
CID 142786281
N-[(2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84769642

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid?
The IUPAC name of (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid (CID 142696203) is (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid.
What is the SMILES notation for (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid?
The canonical SMILES for (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid is COc1c(C)ccc(OB(O)O)c1F.
What is the InChIKey of (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid?
The InChIKey is NWGYUZNIMZZIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BFO4/c1-5-3-4-6(14-9(11)12)7(10)8(5)13-2/h3-4,11-12H,1-2H3.
What are the key properties of (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid?
(2-fluoro-3-methoxy-4-methylphenoxy)boronic acid has a molecular weight of 199.97 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxy-4-methylphenoxy)boronic acid is sourced from PubChem (CID 142696203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).