1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene

C40H50Br2O12 — CID 157222020

IUPAC1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
SMILESCOc1c(Br)c(C)c(-c2c(C)c(Br)c(OC)c(OC)c2OC)c(OC)c1OC.COc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H24Br2O6.C20H26O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4;1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h1-8H3;9-10H,1-8H3
InChIKeyATCJPOFSTZUSLN-UHFFFAOYSA-N
MW882.64 g/mol
LogP9.57
Rot. Bonds14

About 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene

1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene (PubChem CID 157222020) has the molecular formula C40H50Br2O12 and a molecular weight of 882.64 g/mol. Its IUPAC name is 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
PubChem CID157222020
Molecular FormulaC40H50Br2O12
Molecular Weight882.64 g/mol
Exact Mass880.17
IUPAC Name1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
SMILESCOc1c(Br)c(C)c(-c2c(C)c(Br)c(OC)c(OC)c2OC)c(OC)c1OC.COc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C20H24Br2O6.C20H26O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4;1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h1-8H3;9-10H,1-8H3
InChIKeyATCJPOFSTZUSLN-UHFFFAOYSA-N
XLogP9.57
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.64
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene with MolForge

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Related Compounds

1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
methane;1,2,3,4-tetramethoxy-5-methylbenzene
CID 157228165
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
2-bromo-1,4,5,8-tetramethoxy-3-methylnaphthalene
CID 15362253
2-bromo-1,5,8-trimethoxy-3-methylnaphthalene
CID 15362269
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
methyl 3-bromo-2,6-dimethoxy-4-methylbenzoate
CID 121224482
1,2,3-trimethoxy-6,7-dimethyl-5-(3,4,5-trimethoxyphenyl)naphthalene
CID 11750268
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The IUPAC name of 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene (CID 157222020) is 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The canonical SMILES for 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene is COc1c(Br)c(C)c(-c2c(C)c(Br)c(OC)c(OC)c2OC)c(OC)c1OC.COc1cc(C)c(-c2c(C)cc(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
The InChIKey is ATCJPOFSTZUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2O6.C20H26O6/c1-9-11(15(23-3)19(27-7)17(25-5)13(9)21)12-10(2)14(22)18(26-6)20(28-8)16(12)24-4;1-11-9-13(21-3)17(23-5)19(25-7)15(11)16-12(2)10-14(22-4)18(24-6)20(16)26-8/h1-8H3;9-10H,1-8H3.
What are the key properties of 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene?
1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene has a molecular weight of 882.64 g/mol, XLogP of 9.57, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(5-bromo-2,3,4-trimethoxy-6-methylphenyl)-2,3,4-trimethoxy-6-methylbenzene;1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene is sourced from PubChem (CID 157222020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).