2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene

C15H14BrFO2 — CID 64854074

IUPAC2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFO2/c1-11-5-6-14(17)15(9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyFSOVLLJRXYFZLZ-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.35
Rot. Bonds5

About 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene

2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene (PubChem CID 64854074) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
PubChem CID64854074
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(OCCOc2cccc(Br)c2)c1
InChIInChI=1S/C15H14BrFO2/c1-11-5-6-14(17)15(9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3
InChIKeyFSOVLLJRXYFZLZ-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(2-fluoro-5-methylphenoxy)ethoxy]phenyl]methanamine
CID 64854022
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanamine
CID 63638903
1-[2-[2-(3-bromophenoxy)ethoxy]-4-methylphenyl]ethanol
CID 63650431
(1S)-1-[2-[2-(3-bromophenoxy)ethoxy]-5-methylphenyl]ethanol
CID 78933736
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
[4-[3-(2-fluoro-5-methylphenoxy)propoxy]phenyl]methanamine
CID 64856154
2-(3-bromophenoxy)ethyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 55326832
4-[2-(3-bromophenoxy)ethoxy]-3-fluorobenzonitrile
CID 107667700
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
[4-[2-(5-bromo-2-fluorophenoxy)ethoxy]phenyl]methanamine
CID 114671943
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene?
The IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene (CID 64854074) is 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene is Cc1ccc(F)c(OCCOc2cccc(Br)c2)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene?
The InChIKey is FSOVLLJRXYFZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-11-5-6-14(17)15(9-11)19-8-7-18-13-4-2-3-12(16)10-13/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene?
2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene has a molecular weight of 325.18 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethoxy]-1-fluoro-4-methylbenzene is sourced from PubChem (CID 64854074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).