2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene

C13H9Br3O2 — CID 132934312

IUPAC2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
SMILESCOc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br3O2/c1-17-10-4-9(15)5-11(7-10)18-13-3-2-8(14)6-12(13)16/h2-7H,1H3
InChIKeyUIDIFUYLKDBTHY-UHFFFAOYSA-N
MW436.93 g/mol
LogP5.78
Rot. Bonds3

About 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene

2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene (PubChem CID 132934312) has the molecular formula C13H9Br3O2 and a molecular weight of 436.93 g/mol. Its IUPAC name is 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene.

Molecular Properties

Compound Name2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
PubChem CID132934312
Molecular FormulaC13H9Br3O2
Molecular Weight436.93 g/mol
Exact Mass433.82
IUPAC Name2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
SMILESCOc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H9Br3O2/c1-17-10-4-9(15)5-11(7-10)18-13-3-2-8(14)6-12(13)16/h2-7H,1H3
InChIKeyUIDIFUYLKDBTHY-UHFFFAOYSA-N
XLogP5.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.93
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
1,5-dibromo-3-(2,4-dibromophenoxy)-2-methoxybenzene
CID 15884894
1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
CID 20631724
1-[5-bromo-2-(3,5-dimethoxyphenoxy)phenyl]ethanone
CID 82956350
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253
4-bromo-2-(3,5-dimethoxyphenoxy)benzonitrile
CID 23431864
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
1-[5-bromo-2-(2-bromo-4-methoxyphenoxy)phenyl]ethanone
CID 104707843
[4-(2,4-dibromophenoxy)phenyl]methanol
CID 64720453

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene?
The IUPAC name of 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene (CID 132934312) is 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene.
What is the SMILES notation for 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene?
The canonical SMILES for 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene is COc1cc(Br)cc(Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene?
The InChIKey is UIDIFUYLKDBTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3O2/c1-17-10-4-9(15)5-11(7-10)18-13-3-2-8(14)6-12(13)16/h2-7H,1H3.
What are the key properties of 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene?
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene has a molecular weight of 436.93 g/mol, XLogP of 5.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene is sourced from PubChem (CID 132934312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).