anisole;1-bromo-4-(4-bromophenyl)benzene

C19H16Br2O — CID 159969810

IUPACanisole;1-bromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.COc1ccccc1
InChIInChI=1S/C12H8Br2.C7H8O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-8-7-5-3-2-4-6-7/h1-8H;2-6H,1H3
InChIKeyOEKBEOPOXIWMJS-UHFFFAOYSA-N
MW420.14 g/mol
LogP6.57
Rot. Bonds2

About anisole;1-bromo-4-(4-bromophenyl)benzene

anisole;1-bromo-4-(4-bromophenyl)benzene (PubChem CID 159969810) has the molecular formula C19H16Br2O and a molecular weight of 420.14 g/mol. Its IUPAC name is anisole;1-bromo-4-(4-bromophenyl)benzene.

Molecular Properties

Compound Nameanisole;1-bromo-4-(4-bromophenyl)benzene
PubChem CID159969810
Molecular FormulaC19H16Br2O
Molecular Weight420.14 g/mol
Exact Mass417.96
IUPAC Nameanisole;1-bromo-4-(4-bromophenyl)benzene
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.COc1ccccc1
InChIInChI=1S/C12H8Br2.C7H8O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-8-7-5-3-2-4-6-7/h1-8H;2-6H,1H3
InChIKeyOEKBEOPOXIWMJS-UHFFFAOYSA-N
XLogP6.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.14
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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acetylene;anisole
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1-bromo-4-methoxybenzene;ethynylbenzene
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Frequently Asked Questions

What is the IUPAC name of anisole;1-bromo-4-(4-bromophenyl)benzene?
The IUPAC name of anisole;1-bromo-4-(4-bromophenyl)benzene (CID 159969810) is anisole;1-bromo-4-(4-bromophenyl)benzene.
What is the SMILES notation for anisole;1-bromo-4-(4-bromophenyl)benzene?
The canonical SMILES for anisole;1-bromo-4-(4-bromophenyl)benzene is Brc1ccc(-c2ccc(Br)cc2)cc1.COc1ccccc1.
What is the InChIKey of anisole;1-bromo-4-(4-bromophenyl)benzene?
The InChIKey is OEKBEOPOXIWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2.C7H8O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-8-7-5-3-2-4-6-7/h1-8H;2-6H,1H3.
What are the key properties of anisole;1-bromo-4-(4-bromophenyl)benzene?
anisole;1-bromo-4-(4-bromophenyl)benzene has a molecular weight of 420.14 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-bromo-4-(4-bromophenyl)benzene is sourced from PubChem (CID 159969810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).