1,2-dibromo-3-(4-bromophenoxy)benzene

C12H7Br3O — CID 86208485

IUPAC1,2-dibromo-3-(4-bromophenoxy)benzene
SMILESBrc1ccc(Oc2cccc(Br)c2Br)cc1
InChIInChI=1S/C12H7Br3O/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H
InChIKeyWZHNIFQVNBINLF-UHFFFAOYSA-N
MW406.90 g/mol
LogP5.77
Rot. Bonds2

About 1,2-dibromo-3-(4-bromophenoxy)benzene

1,2-dibromo-3-(4-bromophenoxy)benzene (PubChem CID 86208485) has the molecular formula C12H7Br3O and a molecular weight of 406.90 g/mol. Its IUPAC name is 1,2-dibromo-3-(4-bromophenoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-3-(4-bromophenoxy)benzene
PubChem CID86208485
Molecular FormulaC12H7Br3O
Molecular Weight406.90 g/mol
Exact Mass403.80
IUPAC Name1,2-dibromo-3-(4-bromophenoxy)benzene
SMILESBrc1ccc(Oc2cccc(Br)c2Br)cc1
InChIInChI=1S/C12H7Br3O/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H
InChIKeyWZHNIFQVNBINLF-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.90
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(4-bromophenoxy)benzene
CID 16305
1-bromo-4-(2-chlorophenoxy)benzene
CID 21454528
1,2-dibromo-3-methoxybenzene
CID 11958056
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
2-(4-bromophenoxy)benzaldehyde
CID 28604058
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2-(4-bromophenoxy)benzenecarbothioamide
CID 28602302
1,3,5-tris(4-bromophenoxy)benzene
CID 102025054
2-(4-bromophenoxy)-6-chlorobenzamide
CID 62500569
1-[2-(4-bromophenoxy)-6-fluorophenyl]-N-methylethanamine
CID 43285412
CID 174042192
CID 174042192

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-3-(4-bromophenoxy)benzene?
The IUPAC name of 1,2-dibromo-3-(4-bromophenoxy)benzene (CID 86208485) is 1,2-dibromo-3-(4-bromophenoxy)benzene.
What is the SMILES notation for 1,2-dibromo-3-(4-bromophenoxy)benzene?
The canonical SMILES for 1,2-dibromo-3-(4-bromophenoxy)benzene is Brc1ccc(Oc2cccc(Br)c2Br)cc1.
What is the InChIKey of 1,2-dibromo-3-(4-bromophenoxy)benzene?
The InChIKey is WZHNIFQVNBINLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3O/c13-8-4-6-9(7-5-8)16-11-3-1-2-10(14)12(11)15/h1-7H.
What are the key properties of 1,2-dibromo-3-(4-bromophenoxy)benzene?
1,2-dibromo-3-(4-bromophenoxy)benzene has a molecular weight of 406.90 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-3-(4-bromophenoxy)benzene is sourced from PubChem (CID 86208485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).