1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene

C17H18Br2O4 — CID 70681110

IUPAC1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(Cc2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C17H18Br2O4/c1-20-14-6-10(12(18)8-16(14)22-3)5-11-7-15(21-2)17(23-4)9-13(11)19/h6-9H,5H2,1-4H3
InChIKeyOXXBLAGYPJUTSN-UHFFFAOYSA-N
MW446.14 g/mol
LogP4.84
Rot. Bonds6

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

1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 70681110) has the molecular formula C17H18Br2O4 and a molecular weight of 446.14 g/mol. Its IUPAC name is 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
PubChem CID70681110
Molecular FormulaC17H18Br2O4
Molecular Weight446.14 g/mol
Exact Mass443.96
IUPAC Name1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(Cc2cc(OC)c(OC)cc2Br)cc1OC
InChIInChI=1S/C17H18Br2O4/c1-20-14-6-10(12(18)8-16(14)22-3)5-11-7-15(21-2)17(23-4)9-13(11)19/h6-9H,5H2,1-4H3
InChIKeyOXXBLAGYPJUTSN-UHFFFAOYSA-N
XLogP4.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.14
LogP ≤ 54.84
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)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene (CID 70681110) is 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Br)c(Cc2cc(OC)c(OC)cc2Br)cc1OC.
What is the InChIKey of 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is OXXBLAGYPJUTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2O4/c1-20-14-6-10(12(18)8-16(14)22-3)5-11-7-15(21-2)17(23-4)9-13(11)19/h6-9H,5H2,1-4H3.
What are the key properties of 1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene?
1-bromo-2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 446.14 g/mol, XLogP of 4.84, 6 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)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 70681110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).