2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol

C70H92F4GeO4 — CID 149004717

About 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol

2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol (PubChem CID 149004717) has the molecular formula C70H92F4GeO4 and a molecular weight of 1146.10 g/mol. Its IUPAC name is 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
• PubChem CID: 149004717
• Molecular Formula: C70H92F4GeO4
• Molecular Weight: 1146.10 g/mol
• Exact Mass: 1146.61
• IUPAC Name: 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol
• SMILES: Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2c(OC[Ge](COc3cc(F)c(C(C)(C)C)c(F)c3-c3cc(C)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3O)(C(C)C)C(C)C)cc(F)c(C(C)(C)C)c2F)c1
• InChI: InChI=1S/C70H92F4GeO4/c1-39(2)75(40(3)4,37-78-55-35-53(71)59(69(19,20)21)61(73)57(55)51-27-41(5)25-49(63(51)76)43-29-45(65(7,8)9)33-46(30-43)66(10,11)12)38-79-56-36-54(72)60(70(22,23)24)62(74)58(56)52-28-42(6)26-50(64(52)77)44-31-47(67(13,14)15)34-48(32-44)68(16,17)18/h25-36,39-40,76-77H,37-38H2,1-24H3
• InChIKey: BSMXBRUSLDMFMN-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.10
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?

The IUPAC name of 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol (CID 149004717) is 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol.

What is the SMILES notation for 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?

The canonical SMILES for 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol is Cc1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(O)c(-c2c(OC[Ge](COc3cc(F)c(C(C)(C)C)c(F)c3-c3cc(C)cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c3O)(C(C)C)C(C)C)cc(F)c(C(C)(C)C)c2F)c1.

What is the InChIKey of 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?

The InChIKey is BSMXBRUSLDMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H92F4GeO4/c1-39(2)75(40(3)4,37-78-55-35-53(71)59(69(19,20)21)61(73)57(55)51-27-41(5)25-49(63(51)76)43-29-45(65(7,8)9)33-46(30-43)66(10,11)12)38-79-56-36-54(72)60(70(22,23)24)62(74)58(56)52-28-42(6)26-50(64(52)77)44-31-47(67(13,14)15)34-48(32-44)68(16,17)18/h25-36,39-40,76-77H,37-38H2,1-24H3.

What are the key properties of 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol?

2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol has a molecular weight of 1146.10 g/mol, XLogP of 20.53, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-6-[[[4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)-2-hydroxy-5-methylphenyl]-3,5-difluorophenoxy]methyl-di(propan-2-yl)germyl]methoxy]-2,4-difluorophenyl]-6-(3,5-ditert-butylphenyl)-4-methylphenol is sourced from PubChem (CID 149004717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).