2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol

C26H36O — CID 141168167

IUPAC2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol
SMILESCC=Cc1c(Cc2cc(C)cc(CCCC)c2O)cc(C)cc1C(C)(C)C
InChIInChI=1S/C26H36O/c1-8-10-12-20-13-18(3)15-22(25(20)27)17-21-14-19(4)16-24(26(5,6)7)23(21)11-9-2/h9,11,13-16,27H,8,10,12,17H2,1-7H3
InChIKeyDLPSDCWZHDTODM-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.27
Rot. Bonds6

About 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol

2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol (PubChem CID 141168167) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol
PubChem CID141168167
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol
SMILESCC=Cc1c(Cc2cc(C)cc(CCCC)c2O)cc(C)cc1C(C)(C)C
InChIInChI=1S/C26H36O/c1-8-10-12-20-13-18(3)15-22(25(20)27)17-21-14-19(4)16-24(26(5,6)7)23(21)11-9-2/h9,11,13-16,27H,8,10,12,17H2,1-7H3
InChIKeyDLPSDCWZHDTODM-UHFFFAOYSA-N
XLogP7.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol 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-6-[(3,5-didodecyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 139625942
2-tert-butyl-4-methyl-6-pentylphenol
CID 58210348
2-hexyl-6-[(3-hexyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 3293989
[2-tert-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] 2-methylprop-2-enoate
CID 139664089
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[10-(3-tert-butyl-2-hydroxy-5-methylphenyl)decyl]-4-methylphenol
CID 21053639
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-[[2-hydroxy-5-methyl-3-(2-methyloctan-2-yl)phenyl]methyl]-4-methyl-6-(2-methyloctan-2-yl)phenol
CID 22325373
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol?
The IUPAC name of 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol (CID 141168167) is 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol.
What is the SMILES notation for 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol?
The canonical SMILES for 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol is CC=Cc1c(Cc2cc(C)cc(CCCC)c2O)cc(C)cc1C(C)(C)C.
What is the InChIKey of 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol?
The InChIKey is DLPSDCWZHDTODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-8-10-12-20-13-18(3)15-22(25(20)27)17-21-14-19(4)16-24(26(5,6)7)23(21)11-9-2/h9,11,13-16,27H,8,10,12,17H2,1-7H3.
What are the key properties of 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol?
2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol has a molecular weight of 364.57 g/mol, XLogP of 7.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[(3-tert-butyl-5-methyl-2-prop-1-enylphenyl)methyl]-4-methylphenol is sourced from PubChem (CID 141168167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).