2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one

C16H13BrCl2O2 — CID 107285078

IUPAC2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCc1ccc(Br)cc1OC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13BrCl2O2/c1-9-3-4-11(17)7-15(9)21-10(2)16(20)13-6-5-12(18)8-14(13)19/h3-8,10H,1-2H3
InChIKeyUIZOXBMWMCGASO-UHFFFAOYSA-N
MW388.09 g/mol
LogP5.71
Rot. Bonds4

About 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one

2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one (PubChem CID 107285078) has the molecular formula C16H13BrCl2O2 and a molecular weight of 388.09 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
PubChem CID107285078
Molecular FormulaC16H13BrCl2O2
Molecular Weight388.09 g/mol
Exact Mass385.95
IUPAC Name2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one
SMILESCc1ccc(Br)cc1OC(C)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13BrCl2O2/c1-9-3-4-11(17)7-15(9)21-10(2)16(20)13-6-5-12(18)8-14(13)19/h3-8,10H,1-2H3
InChIKeyUIZOXBMWMCGASO-UHFFFAOYSA-N
XLogP5.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.09
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567272
2-(2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63565663
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
2-(2-bromo-4-fluorophenoxy)-1-(2,4-dichlorophenyl)propan-1-one
CID 63567423
1-(2,4-dichlorophenyl)-2-(2-fluoro-5-methylphenoxy)propan-1-one
CID 64854263
1-[4-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971454
(4-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492688
2-(5-bromo-2-fluorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 114674182
2-(2,4-dichlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60625931
2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
CID 43801689
2-(2-bromo-4-chlorophenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 60626656
2-(5-bromo-2-methylphenoxy)propanethioamide
CID 107283881

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one (CID 107285078) is 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one is Cc1ccc(Br)cc1OC(C)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
The InChIKey is UIZOXBMWMCGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2O2/c1-9-3-4-11(17)7-15(9)21-10(2)16(20)13-6-5-12(18)8-14(13)19/h3-8,10H,1-2H3.
What are the key properties of 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one?
2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one has a molecular weight of 388.09 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-1-(2,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 107285078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).