1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene

C16H16Br2O4 — CID 5063692

IUPAC1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C16H16Br2O4/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3
InChIKeyUSDDSYZWAYRCCZ-UHFFFAOYSA-N
MW432.11 g/mol
LogP4.91
Rot. Bonds5

About 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene

1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene (PubChem CID 5063692) has the molecular formula C16H16Br2O4 and a molecular weight of 432.11 g/mol. Its IUPAC name is 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene
PubChem CID5063692
Molecular FormulaC16H16Br2O4
Molecular Weight432.11 g/mol
Exact Mass429.94
IUPAC Name1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(-c2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C16H16Br2O4/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3
InChIKeyUSDDSYZWAYRCCZ-UHFFFAOYSA-N
XLogP4.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.11
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene (CID 5063692) is 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene is COc1cc(Br)c(-c2cc(OC)c(OC)cc2Br)cc1OC.
What is the InChIKey of 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene?
The InChIKey is USDDSYZWAYRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O4/c1-19-13-5-9(11(17)7-15(13)21-3)10-6-14(20-2)16(22-4)8-12(10)18/h5-8H,1-4H3.
What are the key properties of 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene?
1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene has a molecular weight of 432.11 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-bromo-4,5-dimethoxyphenyl)-4,5-dimethoxybenzene is sourced from PubChem (CID 5063692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).