1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one

C15H12BrFO2 — CID 62717383

IUPAC1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrFO2/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2
InChIKeyGRFBUSFPLXMMAV-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one

1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one (PubChem CID 62717383) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
PubChem CID62717383
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H12BrFO2/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2
InChIKeyGRFBUSFPLXMMAV-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-3-phenoxypropan-2-one
CID 62716864
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-amine
CID 62717569
(2-bromo-4-fluorophenyl)methyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 16599824
1-(2-chloro-4-methylphenyl)-3-phenoxypropan-2-one
CID 106865437
1-(2-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62031562
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
1-(4-fluoro-2-methylphenyl)-4-phenoxybutan-2-one
CID 114347135
1-(2-chloro-4-fluorophenyl)-4-phenoxybutan-2-one
CID 62622233
1-(2-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803394
1-(2-bromo-4-fluorophenyl)-4-methylhexan-2-one
CID 114967996

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one (CID 62717383) is 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one is O=C(COc1ccccc1)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one?
The InChIKey is GRFBUSFPLXMMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-15-9-12(17)7-6-11(15)8-13(18)10-19-14-4-2-1-3-5-14/h1-7,9H,8,10H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one?
1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one has a molecular weight of 323.16 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-phenoxypropan-2-one is sourced from PubChem (CID 62717383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).