2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol

C48H74O2 — CID 175249442

IUPAC2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol
SMILESCc1c(C)c(C(CCC(C)C(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)c(C)c(C)c1C(CCC(C)C(C)(C)C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C48H74O2/c1-29(45(7,8)9)19-23-37(35-21-25-41(49)39(27-35)47(13,14)15)43-31(3)33(5)44(34(6)32(43)4)38(24-20-30(2)46(10,11)12)36-22-26-42(50)40(28-36)48(16,17)18/h21-22,25-30,37-38,49-50H,19-20,23-24H2,1-18H3
InChIKeyIJWZDWWDKXBRJP-UHFFFAOYSA-N
MW683.12 g/mol
LogP14.12
Rot. Bonds10

About 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol

2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol (PubChem CID 175249442) has the molecular formula C48H74O2 and a molecular weight of 683.12 g/mol. Its IUPAC name is 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol
PubChem CID175249442
Molecular FormulaC48H74O2
Molecular Weight683.12 g/mol
Exact Mass682.57
IUPAC Name2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol
SMILESCc1c(C)c(C(CCC(C)C(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)c(C)c(C)c1C(CCC(C)C(C)(C)C)c1ccc(O)c(C(C)(C)C)c1
InChIInChI=1S/C48H74O2/c1-29(45(7,8)9)19-23-37(35-21-25-41(49)39(27-35)47(13,14)15)43-31(3)33(5)44(34(6)32(43)4)38(24-20-30(2)46(10,11)12)36-22-26-42(50)40(28-36)48(16,17)18/h21-22,25-30,37-38,49-50H,19-20,23-24H2,1-18H3
InChIKeyIJWZDWWDKXBRJP-UHFFFAOYSA-N
XLogP14.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.12
LogP ≤ 514.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]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-tert-butyl-4-propan-2-ylphenol
CID 24240
1-(3-tert-butyl-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872892
2-tert-butyl-4-(1-phenylethyl)phenol
CID 23036863
3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanal
CID 19734901
2-tert-butyl-4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 87504919
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890
2-tert-butyl-4-[4-[3-[3-(3-tert-butyl-4-hydroxyphenyl)butyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-2-yl]phenol
CID 139762133
ethyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171897974
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-(3-tert-butyl-4-hydroxyphenyl)propanoate
CID 141353760
3-(3-tert-butyl-4-hydroxyphenyl)-N'-[3-(3-tert-butyl-4-hydroxyphenyl)-4,4-dimethylpentanoyl]-4,4-dimethylpentanehydrazide
CID 54517850
methyl 4-(3-tert-butyl-4-hydroxyphenyl)-3,4-dihydroxybutanoate
CID 171896182
4-(4-aminobutan-2-yloxy)-2-tert-butylphenol
CID 54454280

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol?
The IUPAC name of 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol (CID 175249442) is 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol.
What is the SMILES notation for 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol?
The canonical SMILES for 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol is Cc1c(C)c(C(CCC(C)C(C)(C)C)c2ccc(O)c(C(C)(C)C)c2)c(C)c(C)c1C(CCC(C)C(C)(C)C)c1ccc(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol?
The InChIKey is IJWZDWWDKXBRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H74O2/c1-29(45(7,8)9)19-23-37(35-21-25-41(49)39(27-35)47(13,14)15)43-31(3)33(5)44(34(6)32(43)4)38(24-20-30(2)46(10,11)12)36-22-26-42(50)40(28-36)48(16,17)18/h21-22,25-30,37-38,49-50H,19-20,23-24H2,1-18H3.
What are the key properties of 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol?
2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol has a molecular weight of 683.12 g/mol, XLogP of 14.12, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[1-[4-[1-(3-tert-butyl-4-hydroxyphenyl)-4,5,5-trimethylhexyl]-2,3,5,6-tetramethylphenyl]-4,5,5-trimethylhexyl]phenol is sourced from PubChem (CID 175249442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).