1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone

C15H12BrFO2 — CID 63532818

IUPAC1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8H,1-2H3
InChIKeyXMUJKTIOCGIPRK-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.89
Rot. Bonds3

About 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone

1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone (PubChem CID 63532818) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
PubChem CID63532818
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8H,1-2H3
InChIKeyXMUJKTIOCGIPRK-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[4-(4-bromo-2-methylphenoxy)-3-fluorophenyl]ethanone
CID 63532817
1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanol
CID 63540649
5-bromo-2-(4-fluoro-2-methylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 114892801
1-[2-(5-bromo-2-methylphenoxy)phenyl]ethanone
CID 107284751
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451
1-[2-(4-bromo-2-methylphenoxy)-3-pyridinyl]ethanone
CID 114055671

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone (CID 63532818) is 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1Oc1ccc(Br)cc1C.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone?
The InChIKey is XMUJKTIOCGIPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-9-7-11(16)3-5-14(9)19-15-6-4-12(17)8-13(15)10(2)18/h3-8H,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone?
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone has a molecular weight of 323.16 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone is sourced from PubChem (CID 63532818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).