1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene

C10H7Br5O — CID 152753476

IUPAC1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene
SMILESCC(Br)=C(Br)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H7Br5O/c1-5(11)9(15)4-16-10-7(13)2-6(12)3-8(10)14/h2-3H,4H2,1H3
InChIKeyGMRDEZNLYZTSHK-UHFFFAOYSA-N
MW542.69 g/mol
LogP6.37
Rot. Bonds3

About 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene

1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene (PubChem CID 152753476) has the molecular formula C10H7Br5O and a molecular weight of 542.69 g/mol. Its IUPAC name is 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene.

Molecular Properties

Compound Name1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene
PubChem CID152753476
Molecular FormulaC10H7Br5O
Molecular Weight542.69 g/mol
Exact Mass537.64
IUPAC Name1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene
SMILESCC(Br)=C(Br)COc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C10H7Br5O/c1-5(11)9(15)4-16-10-7(13)2-6(12)3-8(10)14/h2-3H,4H2,1H3
InChIKeyGMRDEZNLYZTSHK-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
N-(3-methylbutan-2-yl)-2-(2,4,6-tribromophenoxy)acetamide
CID 42977194
2-(2,4-dibromo-6-chlorophenoxy)acetamide
CID 91674426
2-(2,4-dibromo-6-methylphenoxy)acetate
CID 6921474
1-(4-chlorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60722971
prop-2-enyl 2-(2,4,6-tribromophenoxy)acetate
CID 139610668
N-(2-hydroxyethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 43509908
2-methyl-2-[(2,4,6-tribromophenoxy)methyl]oxirane
CID 66335067
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
methyl 3-(2,4,6-tribromophenoxy)propanoate
CID 29005554
methyl 4-(2,4,6-tribromophenoxy)butanoate
CID 43378196
1,5-dibromo-3-(2,2-dibromoethenyl)-2-ethoxybenzene
CID 130532004

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene?
The IUPAC name of 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene (CID 152753476) is 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene.
What is the SMILES notation for 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene?
The canonical SMILES for 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene is CC(Br)=C(Br)COc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene?
The InChIKey is GMRDEZNLYZTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br5O/c1-5(11)9(15)4-16-10-7(13)2-6(12)3-8(10)14/h2-3H,4H2,1H3.
What are the key properties of 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene?
1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene has a molecular weight of 542.69 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tribromo-2-(2,3-dibromobut-2-enoxy)benzene is sourced from PubChem (CID 152753476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).