1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene

C18H18Br4O5 — CID 23426698

IUPAC1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene
SMILESCOc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC
InChIInChI=1S/C18H18Br4O5/c1-23-10-7-8(11(19)12(20)17(10)26-4)6-9-15(24-2)13(21)18(27-5)14(22)16(9)25-3/h7H,6H2,1-5H3
InChIKeyGEOLICWGMIJJFZ-UHFFFAOYSA-N
MW633.95 g/mol
LogP6.37
Rot. Bonds7

About 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene

1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene (PubChem CID 23426698) has the molecular formula C18H18Br4O5 and a molecular weight of 633.95 g/mol. Its IUPAC name is 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene.

Molecular Properties

Compound Name1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene
PubChem CID23426698
Molecular FormulaC18H18Br4O5
Molecular Weight633.95 g/mol
Exact Mass629.79
IUPAC Name1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene
SMILESCOc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC
InChIInChI=1S/C18H18Br4O5/c1-23-10-7-8(11(19)12(20)17(10)26-4)6-9-15(24-2)13(21)18(27-5)14(22)16(9)25-3/h7H,6H2,1-5H3
InChIKeyGEOLICWGMIJJFZ-UHFFFAOYSA-N
XLogP6.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.95
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene?
The IUPAC name of 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene (CID 23426698) is 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene.
What is the SMILES notation for 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene?
The canonical SMILES for 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene is COc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC.
What is the InChIKey of 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene?
The InChIKey is GEOLICWGMIJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br4O5/c1-23-10-7-8(11(19)12(20)17(10)26-4)6-9-15(24-2)13(21)18(27-5)14(22)16(9)25-3/h7H,6H2,1-5H3.
What are the key properties of 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene?
1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene has a molecular weight of 633.95 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-[(2,3-dibromo-4,5-dimethoxyphenyl)methyl]-2,4,6-trimethoxybenzene is sourced from PubChem (CID 23426698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).