[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid

C15H16BFO4 — CID 65445261

IUPAC[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
SMILESCOc1ccc(CCOc2ccc(F)cc2B(O)O)cc1
InChIInChI=1S/C15H16BFO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-7-4-12(17)10-14(15)16(18)19/h2-7,10,18-19H,8-9H2,1H3
InChIKeyOKUMGCSIJASERJ-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.14
Rot. Bonds6

About [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid

[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid (PubChem CID 65445261) has the molecular formula C15H16BFO4 and a molecular weight of 290.10 g/mol. Its IUPAC name is [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
PubChem CID65445261
Molecular FormulaC15H16BFO4
Molecular Weight290.10 g/mol
Exact Mass290.11
IUPAC Name[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid
SMILESCOc1ccc(CCOc2ccc(F)cc2B(O)O)cc1
InChIInChI=1S/C15H16BFO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-7-4-12(17)10-14(15)16(18)19/h2-7,10,18-19H,8-9H2,1H3
InChIKeyOKUMGCSIJASERJ-UHFFFAOYSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.14
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-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
1-[4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 65446390
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
[2-(3-ethoxypropoxy)-5-fluorophenyl]boronic acid
CID 65175210
(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
[5-methoxy-2-(3-methylbutoxy)phenyl]boronic acid
CID 104706043
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
[2-[2-(4-methoxyphenyl)ethoxy]-5-methylphenyl]methanol
CID 65446582
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid?
The IUPAC name of [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid (CID 65445261) is [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid?
The canonical SMILES for [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid is COc1ccc(CCOc2ccc(F)cc2B(O)O)cc1.
What is the InChIKey of [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid?
The InChIKey is OKUMGCSIJASERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BFO4/c1-20-13-5-2-11(3-6-13)8-9-21-15-7-4-12(17)10-14(15)16(18)19/h2-7,10,18-19H,8-9H2,1H3.
What are the key properties of [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid?
[5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid has a molecular weight of 290.10 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[2-(4-methoxyphenyl)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 65445261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).