1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene

C13H8Br4O2 — CID 15884894

IUPAC1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br4O2/c1-18-13-10(17)5-8(15)6-12(13)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3
InChIKeyNVNCBGPDUILJTG-UHFFFAOYSA-N
MW515.82 g/mol
LogP6.54
Rot. Bonds3

About 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene

1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene (PubChem CID 15884894) has the molecular formula C13H8Br4O2 and a molecular weight of 515.82 g/mol. Its IUPAC name is 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene.

Molecular Properties

Compound Name1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
PubChem CID15884894
Molecular FormulaC13H8Br4O2
Molecular Weight515.82 g/mol
Exact Mass511.73
IUPAC Name1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
SMILESCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br
InChIInChI=1S/C13H8Br4O2/c1-18-13-10(17)5-8(15)6-12(13)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3
InChIKeyNVNCBGPDUILJTG-UHFFFAOYSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.82
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
[2,3,4-tribromo-6-(2,4-dibromophenoxy)phenyl] acetate
CID 23247449
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
2,3,5-tribromo-4-chloro-6-(3,5-dibromo-2-methoxyphenoxy)phenol
CID 133052539
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
1,4-dibromo-2-(2,5-dibromophenoxy)benzene
CID 19792406
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene?
The IUPAC name of 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene (CID 15884894) is 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene.
What is the SMILES notation for 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene?
The canonical SMILES for 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene is COc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br.
What is the InChIKey of 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene?
The InChIKey is NVNCBGPDUILJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br4O2/c1-18-13-10(17)5-8(15)6-12(13)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3.
What are the key properties of 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene?
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene has a molecular weight of 515.82 g/mol, XLogP of 6.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene is sourced from PubChem (CID 15884894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).