1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride

C185H210Br2Cl2O16Zn — CID 161392203

About 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride

1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride (PubChem CID 161392203) has the molecular formula C185H210Br2Cl2O16Zn and a molecular weight of 2985.80 g/mol. Its IUPAC name is 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride.

Molecular Properties

• Compound Name: 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride
• PubChem CID: 161392203
• Molecular Formula: C185H210Br2Cl2O16Zn
• Molecular Weight: 2985.80 g/mol
• Exact Mass: 2979.27
• IUPAC Name: 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride
• SMILES: CC(C)(COc1ccccc1Br)COc1ccccc1Br.COCOc1[c-]cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1c(-c2ccccc2OCC(C)(C)COc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2OCC(C)(C)COc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(O)c(-c2c3c(cc4c2CCCC4)CCCC3)c1.Cl.Cl[Zn+]
• InChI: InChI=1S/C63H72O6.C59H64O4.C23H28O2.C23H27O2.C17H18Br2O2.2ClH.Zn/c1-41-31-53(61(68-39-64-5)55(33-41)59-47-23-11-7-19-43(47)35-44-20-8-12-24-48(44)59)51-27-15-17-29-57(51)66-37-63(3,4)38-67-58-30-18-16-28-52(58)54-32-42(2)34-56(62(54)69-40-65-6)60-49-25-13-9-21-45(49)36-46-22-10-14-26-50(46)60;1-37-29-49(57(60)51(31-37)55-43-21-9-5-17-39(43)33-40-18-6-10-22-44(40)55)47-25-13-15-27-53(47)62-35-59(3,4)36-63-54-28-16-14-26-48(54)50-30-38(2)32-52(58(50)61)56-45-23-11-7-19-41(45)34-42-20-8-12-24-46(42)56;2*1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23;1-17(2,11-20-15-9-5-3-7-13(15)18)12-21-16-10-6-4-8-14(16)19;;;/h15-18,27-36H,7-14,19-26,37-40H2,1-6H3;13-16,25-34,60-61H,5-12,17-24,35-36H2,1-4H3;11-14H,3-10,15H2,1-2H3;11,13-14H,3-10,15H2,1-2H3;3-10H,11-12H2,1-2H3;2*1H;/q;;;-1;;;;+2/p-1
• InChIKey: JTDIAGGUNYTBPA-UHFFFAOYSA-M
• XLogP: 46.73
• TPSA: 169.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 40
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.80
LogP ≤ 5	46.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride?

The IUPAC name of 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride (CID 161392203) is 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride.

What is the SMILES notation for 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride?

The canonical SMILES for 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride is CC(C)(COc1ccccc1Br)COc1ccccc1Br.COCOc1[c-]cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1c(-c2ccccc2OCC(C)(C)COc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)cc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cc1cc(-c2ccccc2OCC(C)(C)COc2ccccc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(O)c(-c2c3c(cc4c2CCCC4)CCCC3)c1.Cl.Cl[Zn+].

What is the InChIKey of 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride?

The InChIKey is JTDIAGGUNYTBPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C63H72O6.C59H64O4.C23H28O2.C23H27O2.C17H18Br2O2.2ClH.Zn/c1-41-31-53(61(68-39-64-5)55(33-41)59-47-23-11-7-19-43(47)35-44-20-8-12-24-48(44)59)51-27-15-17-29-57(51)66-37-63(3,4)38-67-58-30-18-16-28-52(58)54-32-42(2)34-56(62(54)69-40-65-6)60-49-25-13-9-21-45(49)36-46-22-10-14-26-50(46)60;1-37-29-49(57(60)51(31-37)55-43-21-9-5-17-39(43)33-40-18-6-10-22-44(40)55)47-25-13-15-27-53(47)62-35-59(3,4)36-63-54-28-16-14-26-48(54)50-30-38(2)32-52(58(50)61)56-45-23-11-7-19-41(45)34-42-20-8-12-24-46(42)56;2*1-16-11-12-22(25-15-24-2)21(13-16)23-19-9-5-3-7-17(19)14-18-8-4-6-10-20(18)23;1-17(2,11-20-15-9-5-3-7-13(15)18)12-21-16-10-6-4-8-14(16)19;;;/h15-18,27-36H,7-14,19-26,37-40H2,1-6H3;13-16,25-34,60-61H,5-12,17-24,35-36H2,1-4H3;11-14H,3-10,15H2,1-2H3;11,13-14H,3-10,15H2,1-2H3;3-10H,11-12H2,1-2H3;2*1H;/q;;;-1;;;;+2/p-1.

What are the key properties of 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride?

1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride has a molecular weight of 2985.80 g/mol, XLogP of 46.73, 40 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-[3-(2-bromophenoxy)-2,2-dimethylpropoxy]benzene;chlorozinc(1+);2-[2-[3-[2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[2-(methoxymethoxy)-3-[2-[3-[2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]-2,2-dimethylpropoxy]phenyl]-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylbenzene-3-id-1-yl]-1,2,3,4,5,6,7,8-octahydroanthracene;9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;hydrochloride is sourced from PubChem (CID 161392203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).