1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone

C15H12BrClO2 — CID 82971994

IUPAC1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-9-3-5-13(17)15(7-9)19-14-6-4-11(16)8-12(14)10(2)18/h3-8H,1-2H3
InChIKeyQUPOKXSKWLLEED-UHFFFAOYSA-N
MW339.62 g/mol
LogP5.41
Rot. Bonds3

About 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone

1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone (PubChem CID 82971994) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
PubChem CID82971994
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1Oc1cc(C)ccc1Cl
InChIInChI=1S/C15H12BrClO2/c1-9-3-5-13(17)15(7-9)19-14-6-4-11(16)8-12(14)10(2)18/h3-8H,1-2H3
InChIKeyQUPOKXSKWLLEED-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.62
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
1-[5-bromo-2-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethanone
CID 82954571
1-[5-bromo-2-(4-chloro-3-methylphenoxy)phenyl]ethanone
CID 82972295
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527
(2-acetyl-4-bromophenyl) 2-chloro-4-methylbenzenesulfonate
CID 32674080
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
1-[4-bromo-2-(2-methoxy-4-methylphenoxy)phenyl]ethanone
CID 82971742
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
1-[5-bromo-2-(2-iodophenoxy)phenyl]ethanone
CID 82972451

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone (CID 82971994) is 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone is CC(=O)c1cc(Br)ccc1Oc1cc(C)ccc1Cl.
What is the InChIKey of 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone?
The InChIKey is QUPOKXSKWLLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-9-3-5-13(17)15(7-9)19-14-6-4-11(16)8-12(14)10(2)18/h3-8H,1-2H3.
What are the key properties of 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone?
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone has a molecular weight of 339.62 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 82971994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).