2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol

C10H12BrFO3 — CID 83236273

IUPAC2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFO3/c11-9-7-8(1-2-10(9)12)15-6-5-14-4-3-13/h1-2,7,13H,3-6H2
InChIKeyFAEGNFSJWKLMCG-UHFFFAOYSA-N
MW279.10 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol

2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol (PubChem CID 83236273) has the molecular formula C10H12BrFO3 and a molecular weight of 279.10 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
PubChem CID83236273
Molecular FormulaC10H12BrFO3
Molecular Weight279.10 g/mol
Exact Mass278.00
IUPAC Name2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol
SMILESOCCOCCOc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFO3/c11-9-7-8(1-2-10(9)12)15-6-5-14-4-3-13/h1-2,7,13H,3-6H2
InChIKeyFAEGNFSJWKLMCG-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
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-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
3-(3-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 83232920
3-[2-(3-bromo-4-fluorophenoxy)ethoxy]benzoic acid
CID 83231309
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
2-[2-(3-chlorophenoxy)ethoxy]ethanol
CID 10443322
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol (CID 83236273) is 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol is OCCOCCOc1ccc(F)c(Br)c1.
What is the InChIKey of 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol?
The InChIKey is FAEGNFSJWKLMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c11-9-7-8(1-2-10(9)12)15-6-5-14-4-3-13/h1-2,7,13H,3-6H2.
What are the key properties of 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol?
2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol has a molecular weight of 279.10 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-fluorophenoxy)ethoxy]ethanol is sourced from PubChem (CID 83236273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).