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

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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).