1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene

C13H9Br3O — CID 59330950

IUPAC1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
SMILESBrc1ccc(COc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H9Br3O/c14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h1-7H,8H2
InChIKeyBDGURNSNZZZOJG-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.55
Rot. Bonds3

About 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene

1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene (PubChem CID 59330950) has the molecular formula C13H9Br3O and a molecular weight of 420.93 g/mol. Its IUPAC name is 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
PubChem CID59330950
Molecular FormulaC13H9Br3O
Molecular Weight420.93 g/mol
Exact Mass417.82
IUPAC Name1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
SMILESBrc1ccc(COc2cc(Br)ccc2Br)cc1
InChIInChI=1S/C13H9Br3O/c14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h1-7H,8H2
InChIKeyBDGURNSNZZZOJG-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-[(4-bromophenyl)methoxy]benzonitrile
CID 114902529
2-bromo-1-[(4-bromophenyl)methoxy]-4-fluorobenzene
CID 29278100
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
1-bromo-2-[(2,4-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(2,5-dibromophenoxy)methyl]naphthalene;1-bromo-2-[(3,5-dibromophenoxy)methyl]naphthalene;1,3-dibromo-5-[(4-bromophenyl)methoxy]benzene;1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene;2,4-dibromo-1-[(4-bromophenyl)methoxy]benzene
CID 159146813
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
1,4-dibromo-2-(2,5-dibromophenoxy)benzene
CID 19792406
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
1,4-dibromo-2-butoxybenzene
CID 69260452
1,3-dibromo-5-(bromomethyl)-2-[(4-bromophenyl)methoxy]benzene
CID 107745706
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
4-[(2,4-dibromophenoxy)methyl]benzoic acid
CID 43235934

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene?
The IUPAC name of 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene (CID 59330950) is 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene.
What is the SMILES notation for 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene?
The canonical SMILES for 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene is Brc1ccc(COc2cc(Br)ccc2Br)cc1.
What is the InChIKey of 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene?
The InChIKey is BDGURNSNZZZOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3O/c14-10-3-1-9(2-4-10)8-17-13-7-11(15)5-6-12(13)16/h1-7H,8H2.
What are the key properties of 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene?
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene has a molecular weight of 420.93 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene is sourced from PubChem (CID 59330950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).