1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one

C15H11BrClFO2 — CID 105118221

IUPAC1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
SMILESO=C(COc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H11BrClFO2/c16-11-4-10(5-13(18)7-11)6-14(19)9-20-15-3-1-2-12(17)8-15/h1-5,7-8H,6,9H2
InChIKeyOKIRSEWWFMIHFS-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.43
Rot. Bonds5

About 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one

1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one (PubChem CID 105118221) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
PubChem CID105118221
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
SMILESO=C(COc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C15H11BrClFO2/c16-11-4-10(5-13(18)7-11)6-14(19)9-20-15-3-1-2-12(17)8-15/h1-5,7-8H,6,9H2
InChIKeyOKIRSEWWFMIHFS-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
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CID 79702459
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
1-(3-bromo-5-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-one
CID 115786755
2-(3-bromo-5-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 79702795
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 105083862
1-(3-bromo-5-fluorophenyl)-2-(3-chlorophenyl)ethanone
CID 63526481
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)ethanone
CID 60656400

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one (CID 105118221) is 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one is O=C(COc1cccc(Cl)c1)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one?
The InChIKey is OKIRSEWWFMIHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-11-4-10(5-13(18)7-11)6-14(19)9-20-15-3-1-2-12(17)8-15/h1-5,7-8H,6,9H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one?
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one has a molecular weight of 357.61 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one is sourced from PubChem (CID 105118221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).