2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol

C34H46O2 — CID 88729170

IUPAC2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
SMILESCc1cc(C(C)Cc2cccc(CC(C)c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H46O2/c1-21-14-27(31(35)29(16-21)33(5,6)7)23(3)18-25-12-11-13-26(20-25)19-24(4)28-15-22(2)17-30(32(28)36)34(8,9)10/h11-17,20,23-24,35-36H,18-19H2,1-10H3
InChIKeyCSSLTEGOJYILPZ-UHFFFAOYSA-N
MW486.74 g/mol
LogP9.00
Rot. Bonds6

About 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol

2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol (PubChem CID 88729170) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
PubChem CID88729170
Molecular FormulaC34H46O2
Molecular Weight486.74 g/mol
Exact Mass486.35
IUPAC Name2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol
SMILESCc1cc(C(C)Cc2cccc(CC(C)c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H46O2/c1-21-14-27(31(35)29(16-21)33(5,6)7)23(3)18-25-12-11-13-26(20-25)19-24(4)28-15-22(2)17-30(32(28)36)34(8,9)10/h11-17,20,23-24,35-36H,18-19H2,1-10H3
InChIKeyCSSLTEGOJYILPZ-UHFFFAOYSA-N
XLogP9.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol with MolForge

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Related Compounds

2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
2-tert-butyl-4-methyl-6-[(1R)-1-phenylethyl]phenol
CID 1271819
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]propyl]-4-(2-methylpropyl)phenol
CID 159566936
5-[2-(2-aminophenyl)propyl]-2-tert-butylphenol
CID 167089337
2-tert-butyl-6-[di(pyrazol-1-yl)methyl]-4-methylphenol
CID 11141436
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-pentan-2-ylphenol;ethane
CID 142998907
2-tert-butylphenol;2,6-ditert-butyl-4-methylphenol
CID 19042670
2,6-ditert-butyl-4-methylphenol;3-methylphenol
CID 141330574
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol (CID 88729170) is 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol is Cc1cc(C(C)Cc2cccc(CC(C)c3cc(C)cc(C(C)(C)C)c3O)c2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol?
The InChIKey is CSSLTEGOJYILPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2/c1-21-14-27(31(35)29(16-21)33(5,6)7)23(3)18-25-12-11-13-26(20-25)19-24(4)28-15-22(2)17-30(32(28)36)34(8,9)10/h11-17,20,23-24,35-36H,18-19H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol?
2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol has a molecular weight of 486.74 g/mol, XLogP of 9.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-[3-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]phenyl]propan-2-yl]-4-methylphenol is sourced from PubChem (CID 88729170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).