2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol

C48H66O4 — CID 160646007

IUPAC2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(c1cc(C(C)(C)C)c(O)cc1C)C(C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C48H66O4/c1-27-19-39(49)35(43(5,6)7)23-31(27)47(17,32-24-36(44(8,9)10)40(50)20-28(32)2)48(18,33-25-37(45(11,12)13)41(51)21-29(33)3)34-26-38(46(14,15)16)42(52)22-30(34)4/h19-26,49-52H,1-18H3
InChIKeyRJUHETYEOATZMU-UHFFFAOYSA-N
MW707.05 g/mol
LogP12.24
Rot. Bonds5

About 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol

2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol (PubChem CID 160646007) has the molecular formula C48H66O4 and a molecular weight of 707.05 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
PubChem CID160646007
Molecular FormulaC48H66O4
Molecular Weight707.05 g/mol
Exact Mass706.50
IUPAC Name2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
SMILESCc1cc(O)c(C(C)(C)C)cc1C(C)(c1cc(C(C)(C)C)c(O)cc1C)C(C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C48H66O4/c1-27-19-39(49)35(43(5,6)7)23-31(27)47(17,32-24-36(44(8,9)10)40(50)20-28(32)2)48(18,33-25-37(45(11,12)13)41(51)21-29(33)3)34-26-38(46(14,15)16)42(52)22-30(34)4/h19-26,49-52H,1-18H3
InChIKeyRJUHETYEOATZMU-UHFFFAOYSA-N
XLogP12.24
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.05
LogP ≤ 512.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-5-methylphenol
CID 10346
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2-tert-butyl-4-[3-(5-tert-butyl-4-hydroxy-2-methylphenyl)hexan-3-yl]-5-methylphenol
CID 139631784
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)butyl]-5-methylphenol
CID 57198383
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
2-tert-butyl-4-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)-1-sulfanylhexadecan-2-yl]-5-methylphenol
CID 22643732
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol?
The IUPAC name of 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol (CID 160646007) is 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol.
What is the SMILES notation for 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol?
The canonical SMILES for 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol is Cc1cc(O)c(C(C)(C)C)cc1C(C)(c1cc(C(C)(C)C)c(O)cc1C)C(C)(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol?
The InChIKey is RJUHETYEOATZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H66O4/c1-27-19-39(49)35(43(5,6)7)23-31(27)47(17,32-24-36(44(8,9)10)40(50)20-28(32)2)48(18,33-25-37(45(11,12)13)41(51)21-29(33)3)34-26-38(46(14,15)16)42(52)22-30(34)4/h19-26,49-52H,1-18H3.
What are the key properties of 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol?
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol has a molecular weight of 707.05 g/mol, XLogP of 12.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol is sourced from PubChem (CID 160646007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).