2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene

C15H14BrFO3 — CID 83232381

IUPAC2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H14BrFO3/c1-18-11-2-4-12(5-3-11)19-8-9-20-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9H2,1H3
InChIKeyPPEMSWTWPQXHKX-UHFFFAOYSA-N
MW341.18 g/mol
LogP4.05
Rot. Bonds6

About 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene

2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene (PubChem CID 83232381) has the molecular formula C15H14BrFO3 and a molecular weight of 341.18 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
PubChem CID83232381
Molecular FormulaC15H14BrFO3
Molecular Weight341.18 g/mol
Exact Mass340.01
IUPAC Name2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
SMILESCOc1ccc(OCCOc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H14BrFO3/c1-18-11-2-4-12(5-3-11)19-8-9-20-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9H2,1H3
InChIKeyPPEMSWTWPQXHKX-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
CID 83236273
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
5-bromo-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-2-methylaniline
CID 107592056
3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 83232920
N-[2-(3-bromo-4-fluorophenoxy)ethyl]-4-methylaniline
CID 83235093
4-(3-bromo-4-fluorophenoxy)-N-tert-butylbutan-1-amine
CID 83234495
(3-bromo-4-fluorophenoxy)methyl-trifluoroboranuide
CID 83234936

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The IUPAC name of 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene (CID 83232381) is 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene is COc1ccc(OCCOc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
The InChIKey is PPEMSWTWPQXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO3/c1-18-11-2-4-12(5-3-11)19-8-9-20-13-6-7-15(17)14(16)10-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene?
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene has a molecular weight of 341.18 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene is sourced from PubChem (CID 83232381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).