2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol

C80H116O4 — CID 159788549

IUPAC2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
SMILESCc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/2C40H58O2/c2*1-23-24(2)30(18-28-21-33(39(11,12)13)36(42)34(22-28)40(14,15)16)26(4)25(3)29(23)17-27-19-31(37(5,6)7)35(41)32(20-27)38(8,9)10/h2*19-22,41-42H,17-18H2,1-16H3
InChIKeyNIGNUIPZCBJTJO-UHFFFAOYSA-N
MW1141.80 g/mol
LogP21.41
Rot. Bonds8

About 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol

2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol (PubChem CID 159788549) has the molecular formula C80H116O4 and a molecular weight of 1141.80 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
PubChem CID159788549
Molecular FormulaC80H116O4
Molecular Weight1141.80 g/mol
Exact Mass1140.89
IUPAC Name2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
SMILESCc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/2C40H58O2/c2*1-23-24(2)30(18-28-21-33(39(11,12)13)36(42)34(22-28)40(14,15)16)26(4)25(3)29(23)17-27-19-31(37(5,6)7)35(41)32(20-27)38(8,9)10/h2*19-22,41-42H,17-18H2,1-16H3
InChIKeyNIGNUIPZCBJTJO-UHFFFAOYSA-N
XLogP21.41
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.80
LogP ≤ 521.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 174668759
2,6-ditert-butyl-4-[[2,4,6-tributyl-3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenol
CID 137459723
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylsulfonyl)phenyl]methyl]-2,6-ditert-butylphenol
CID 87994100
1-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]-2-phenylethane-1,2-dione
CID 175357707
4-[[3,5-bis[[3-tert-butyl-4-hydroxy-5-(2-methylpropyl)phenyl]methyl]-2,4,6-trimethylphenyl]methyl]-2-tert-butyl-6-(2-methylpropyl)phenol
CID 139646404
4-[[3,5-bis[(3-butan-2-yl-5-tert-butyl-4-hydroxyphenyl)methyl]-2,4,6-trimethylphenyl]methyl]-2-butan-2-yl-6-tert-butylphenol
CID 139646427
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2,6-ditert-butyl-4-[(2,4,5-trichloro-1H-pyrrol-3-yl)methyl]phenol
CID 23046417
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
2,6-ditert-butyl-4-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]phenol
CID 23046350
2,6-ditert-butyl-4-(nitrosomethyl)phenol
CID 54100018
2,6-ditert-butyl-4-(3-hydroxy-3-methylbutyl)phenol
CID 3430761

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol (CID 159788549) is 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol is Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol?
The InChIKey is NIGNUIPZCBJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H58O2/c2*1-23-24(2)30(18-28-21-33(39(11,12)13)36(42)34(22-28)40(14,15)16)26(4)25(3)29(23)17-27-19-31(37(5,6)7)35(41)32(20-27)38(8,9)10/h2*19-22,41-42H,17-18H2,1-16H3.
What are the key properties of 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol?
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol has a molecular weight of 1141.80 g/mol, XLogP of 21.41, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol is sourced from PubChem (CID 159788549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).