1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one

C15H11Br3O2 — CID 116692098

IUPAC1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
SMILESO=C(CCOc1c(Br)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C15H11Br3O2/c16-11-8-12(17)15(13(18)9-11)20-7-6-14(19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyJSGZGBSPSDCTOT-UHFFFAOYSA-N
MW462.96 g/mol
LogP5.63
Rot. Bonds5

About 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one

1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one (PubChem CID 116692098) has the molecular formula C15H11Br3O2 and a molecular weight of 462.96 g/mol. Its IUPAC name is 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
PubChem CID116692098
Molecular FormulaC15H11Br3O2
Molecular Weight462.96 g/mol
Exact Mass459.83
IUPAC Name1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
SMILESO=C(CCOc1c(Br)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C15H11Br3O2/c16-11-8-12(17)15(13(18)9-11)20-7-6-14(19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyJSGZGBSPSDCTOT-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.96
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,4,6-tribromophenoxy)propanoate
CID 29005554
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
(2,4,6-tribromophenyl) benzoate
CID 13070430
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
4-(2-bromophenoxy)-1-phenylbutan-1-one
CID 60644532
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
4-(2-bromo-6-methoxyphenoxy)-1-phenylbutan-1-one
CID 83136474
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
3-methoxy-1-phenylpropan-1-one
CID 10942788
methyl 4-(2,4,6-tribromophenoxy)butanoate
CID 43378196
4-(5-bromo-2-methylphenoxy)-1-phenylbutan-1-one
CID 107285074

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one?
The IUPAC name of 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one (CID 116692098) is 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one?
The canonical SMILES for 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one is O=C(CCOc1c(Br)cc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one?
The InChIKey is JSGZGBSPSDCTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br3O2/c16-11-8-12(17)15(13(18)9-11)20-7-6-14(19)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one?
1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one has a molecular weight of 462.96 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one is sourced from PubChem (CID 116692098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).