1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one

C15H11BrClFO2 — CID 105083862

IUPAC1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrClFO2/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8H,7,9H2
InChIKeyDIUUNBBCYURTLW-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.43
Rot. Bonds5

About 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one

1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one (PubChem CID 105083862) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
PubChem CID105083862
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
SMILESO=C(COc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C15H11BrClFO2/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8H,7,9H2
InChIKeyDIUUNBBCYURTLW-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-(3-chloro-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 103042817
1-(4-chloro-3-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one
CID 107890837
1-(3-bromo-4-fluorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 83234141
1-(5-bromo-3-pyridinyl)-3-(4-chlorophenoxy)propan-2-one
CID 105128853
2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
1-(3,5-dichlorophenoxy)-3-(4-fluorophenyl)propan-2-one
CID 62033460
1-(3-bromo-4-fluorophenyl)-3-(3-chloro-2-fluorophenyl)propan-2-one
CID 82803152
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
1-(3-bromo-4-fluorophenyl)but-3-en-2-one
CID 103453521
1-(4-chloro-3-fluorophenoxy)-3-phenylpropan-2-one
CID 82716660
1-(3-bromo-5-fluorophenyl)-3-(3-chlorophenoxy)propan-2-one
CID 105118221
2-(4-chlorophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]phenyl]acetamide
CID 157084020

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one (CID 105083862) is 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one is O=C(COc1ccc(Cl)cc1)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
The InChIKey is DIUUNBBCYURTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-14-8-10(1-6-15(14)18)7-12(19)9-20-13-4-2-11(17)3-5-13/h1-6,8H,7,9H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one?
1-(3-bromo-4-fluorophenyl)-3-(4-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-4-fluorophenyl)-3-(4-chlorophenoxy)propan-2-one is sourced from PubChem (CID 105083862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).