2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride

C200H247Br2ClO16 — CID 159713073

About 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride

2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride (PubChem CID 159713073) has the molecular formula C200H247Br2ClO16 and a molecular weight of 3102.42 g/mol. Its IUPAC name is 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride
• PubChem CID: 159713073
• Molecular Formula: C200H247Br2ClO16
• Molecular Weight: 3102.42 g/mol
• Exact Mass: 3097.66
• IUPAC Name: 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride
• SMILES: C.C.C.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c1.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)c(-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)c1.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2Br)c(Br)c1.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cl
• InChI: InChI=1S/C67H80O6.C63H72O4.2C23H28O2.C21H26Br2O2.3CH4.ClH/c1-9-46-27-29-62(56(36-46)58-31-42(3)33-60(66(58)70-40-68-7)64-52-23-15-11-19-48(52)38-49-20-12-16-24-53(49)64)72-44(5)35-45(6)73-63-30-28-47(10-2)37-57(63)59-32-43(4)34-61(67(59)71-41-69-8)65-54-25-17-13-21-50(54)39-51-22-14-18-26-55(51)65;1-7-42-25-27-58(52(34-42)54-29-38(3)31-56(62(54)64)60-48-21-13-9-17-44(48)36-45-18-10-14-22-49(45)60)66-40(5)33-41(6)67-59-28-26-43(8-2)35-53(59)55-30-39(4)32-57(63(55)65)61-50-23-15-11-19-46(50)37-47-20-12-16-24-51(47)61;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;1-5-16-7-9-20(18(22)12-16)24-14(3)11-15(4)25-21-10-8-17(6-2)13-19(21)23;;;;/h27-34,36-39,44-45H,9-26,35,40-41H2,1-8H3;25-32,34-37,40-41,64-65H,7-24,33H2,1-6H3;2*11-14H,3-10,15H2,1-2H3;7-10,12-15H,5-6,11H2,1-4H3;3*1H4;1H/t44-,45-;40-,41-;;;14-,15-;;;;/m00..0..../s1
• InChIKey: PYXIOYXVGJYWBB-ZNSQBXDHSA-N
• XLogP: 51.95
• TPSA: 169.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 46
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3102.42
LogP ≤ 5	51.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride?

The IUPAC name of 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride (CID 159713073) is 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride.

What is the SMILES notation for 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride?

The canonical SMILES for 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride is C.C.C.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c(-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2O)c1.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)c(-c2cc(C)cc(-c3c4c(cc5c3CCCC5)CCCC4)c2OCOC)c1.CCc1ccc(O[C@@H](C)C[C@H](C)Oc2ccc(CC)cc2Br)c(Br)c1.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.COCOc1ccc(C)cc1-c1c2c(cc3c1CCCC3)CCCC2.Cl.

What is the InChIKey of 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride?

The InChIKey is PYXIOYXVGJYWBB-ZNSQBXDHSA-N. The full InChI is InChI=1S/C67H80O6.C63H72O4.2C23H28O2.C21H26Br2O2.3CH4.ClH/c1-9-46-27-29-62(56(36-46)58-31-42(3)33-60(66(58)70-40-68-7)64-52-23-15-11-19-48(52)38-49-20-12-16-24-53(49)64)72-44(5)35-45(6)73-63-30-28-47(10-2)37-57(63)59-32-43(4)34-61(67(59)71-41-69-8)65-54-25-17-13-21-50(54)39-51-22-14-18-26-55(51)65;1-7-42-25-27-58(52(34-42)54-29-38(3)31-56(62(54)64)60-48-21-13-9-17-44(48)36-45-18-10-14-22-49(45)60)66-40(5)33-41(6)67-59-28-26-43(8-2)35-53(59)55-30-39(4)32-57(63(55)65)61-50-23-15-11-19-46(50)37-47-20-12-16-24-51(47)61;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;1-5-16-7-9-20(18(22)12-16)24-14(3)11-15(4)25-21-10-8-17(6-2)13-19(21)23;;;;/h27-34,36-39,44-45H,9-26,35,40-41H2,1-8H3;25-32,34-37,40-41,64-65H,7-24,33H2,1-6H3;2*11-14H,3-10,15H2,1-2H3;7-10,12-15H,5-6,11H2,1-4H3;3*1H4;1H/t44-,45-;40-,41-;;;14-,15-;;;;/m00..0..../s1.

What are the key properties of 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride?

2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride has a molecular weight of 3102.42 g/mol, XLogP of 51.95, 46 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[(2S,4S)-4-(2-bromo-4-ethylphenoxy)pentan-2-yl]oxy-4-ethylbenzene;2-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-hydroxy-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-methyl-6-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenol;9-[3-[5-ethyl-2-[(2S,4S)-4-[4-ethyl-2-[2-(methoxymethoxy)-5-methyl-3-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene;methane;bis(9-[2-(methoxymethoxy)-5-methylphenyl]-1,2,3,4,5,6,7,8-octahydroanthracene);hydrochloride is sourced from PubChem (CID 159713073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).