1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone

C15H11BrClFO — CID 88536133

IUPAC1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(Br)c1-c1cccc(F)c1
InChIInChI=1S/C15H11BrClFO/c1-8-13(17)7-12(9(2)19)14(15(8)16)10-4-3-5-11(18)6-10/h3-7H,1-2H3
InChIKeyGRVMRAWWZORYEN-UHFFFAOYSA-N
MW341.61 g/mol
LogP5.42
Rot. Bonds2

About 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone

1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone (PubChem CID 88536133) has the molecular formula C15H11BrClFO and a molecular weight of 341.61 g/mol. Its IUPAC name is 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone
PubChem CID88536133
Molecular FormulaC15H11BrClFO
Molecular Weight341.61 g/mol
Exact Mass339.97
IUPAC Name1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone
SMILESCC(=O)c1cc(Cl)c(C)c(Br)c1-c1cccc(F)c1
InChIInChI=1S/C15H11BrClFO/c1-8-13(17)7-12(9(2)19)14(15(8)16)10-4-3-5-11(18)6-10/h3-7H,1-2H3
InChIKeyGRVMRAWWZORYEN-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.61
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone?
The IUPAC name of 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone (CID 88536133) is 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone is CC(=O)c1cc(Cl)c(C)c(Br)c1-c1cccc(F)c1.
What is the InChIKey of 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone?
The InChIKey is GRVMRAWWZORYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO/c1-8-13(17)7-12(9(2)19)14(15(8)16)10-4-3-5-11(18)6-10/h3-7H,1-2H3.
What are the key properties of 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone?
1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone has a molecular weight of 341.61 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone is sourced from PubChem (CID 88536133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).