1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone

C14H8Br3ClO2 — CID 60722971

IUPAC1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
SMILESO=C(COc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Br3ClO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-1-3-10(18)4-2-8/h1-6H,7H2
InChIKeyCVZPQSSKJWKPLX-UHFFFAOYSA-N
MW483.38 g/mol
LogP5.89
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone

1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone (PubChem CID 60722971) has the molecular formula C14H8Br3ClO2 and a molecular weight of 483.38 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
PubChem CID60722971
Molecular FormulaC14H8Br3ClO2
Molecular Weight483.38 g/mol
Exact Mass479.78
IUPAC Name1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
SMILESO=C(COc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Br3ClO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-1-3-10(18)4-2-8/h1-6H,7H2
InChIKeyCVZPQSSKJWKPLX-UHFFFAOYSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
2-(6-bromonaphthalen-2-yl)oxy-1-(4-chlorophenyl)ethanone
CID 4213919
1-(3-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 63566889
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
2-(2,6-dibromophenoxy)-1-phenylethanone
CID 60593987
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
[2-(4-chlorophenyl)-2-oxoethyl] 3-bromo-4-ethoxy-5-methoxybenzoate
CID 3269803
1-phenyl-3-(2,4,6-tribromophenoxy)propan-1-one
CID 116692098
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone (CID 60722971) is 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone is O=C(COc1c(Br)cc(Br)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
The InChIKey is CVZPQSSKJWKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br3ClO2/c15-9-5-11(16)14(12(17)6-9)20-7-13(19)8-1-3-10(18)4-2-8/h1-6H,7H2.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone?
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone has a molecular weight of 483.38 g/mol, XLogP of 5.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone is sourced from PubChem (CID 60722971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).