2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol

C32H50O2 — CID 21053639

IUPAC2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
SMILESCc1cc(CCCCCCCCCCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H50O2/c1-23-19-25(29(33)27(21-23)31(3,4)5)17-15-13-11-9-10-12-14-16-18-26-20-24(2)22-28(30(26)34)32(6,7)8/h19-22,33-34H,9-18H2,1-8H3
InChIKeyLJZUCGJIBOCBQO-UHFFFAOYSA-N
MW466.75 g/mol
LogP9.22
Rot. Bonds11

About 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol

2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol (PubChem CID 21053639) has the molecular formula C32H50O2 and a molecular weight of 466.75 g/mol. Its IUPAC name is 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
PubChem CID21053639
Molecular FormulaC32H50O2
Molecular Weight466.75 g/mol
Exact Mass466.38
IUPAC Name2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
SMILESCc1cc(CCCCCCCCCCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C32H50O2/c1-23-19-25(29(33)27(21-23)31(3,4)5)17-15-13-11-9-10-12-14-16-18-26-20-24(2)22-28(30(26)34)32(6,7)8/h19-22,33-34H,9-18H2,1-8H3
InChIKeyLJZUCGJIBOCBQO-UHFFFAOYSA-N
XLogP9.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.75
LogP ≤ 59.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-tert-butyl-6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol;dichlorotitanium
CID 11027093
2-tert-butyl-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;ethane-1,2-diol
CID 88830075
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxyphenyl)-3-methylbutyl]-4-methylphenol
CID 166786762
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-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol (CID 21053639) is 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol is Cc1cc(CCCCCCCCCCc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol?
The InChIKey is LJZUCGJIBOCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O2/c1-23-19-25(29(33)27(21-23)31(3,4)5)17-15-13-11-9-10-12-14-16-18-26-20-24(2)22-28(30(26)34)32(6,7)8/h19-22,33-34H,9-18H2,1-8H3.
What are the key properties of 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol?
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol has a molecular weight of 466.75 g/mol, XLogP of 9.22, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol is sourced from PubChem (CID 21053639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).