2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one

C17H16BrFO2 — CID 60626925

IUPAC2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFO2/c1-3-12-4-6-13(7-5-12)17(20)11(2)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3
InChIKeyMVBOHVAEJQXONF-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.80
Rot. Bonds5

About 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one

2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one (PubChem CID 60626925) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
PubChem CID60626925
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)Oc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFO2/c1-3-12-4-6-13(7-5-12)17(20)11(2)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3
InChIKeyMVBOHVAEJQXONF-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-1-(4-bromophenyl)propan-1-one
CID 60626928
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-(2,4-difluorophenoxy)-1-phenylpropan-1-one
CID 43218886
2-(5-bromo-2-fluorophenoxy)-1-phenylpropan-1-one
CID 114674200
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
CID 63038697
tert-butyl 2-(4-bromo-2-fluorophenoxy)propanoate
CID 66336995
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-(2-chloro-5-methylphenoxy)-1-(4-ethylphenyl)propan-1-one
CID 60623563
[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 7991804
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-ethoxy-1-(4-ethylphenyl)propan-1-one
CID 43799619

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one (CID 60626925) is 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)Oc2ccc(Br)cc2F)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one?
The InChIKey is MVBOHVAEJQXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c1-3-12-4-6-13(7-5-12)17(20)11(2)21-16-9-8-14(18)10-15(16)19/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one?
2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one has a molecular weight of 351.22 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 60626925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).