2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol

C20H26O — CID 18336370

IUPAC2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol
SMILESCc1cc(C)cc(C(c2cc(C)cc(C)c2O)C(C)C)c1
InChIInChI=1S/C20H26O/c1-12(2)19(17-9-13(3)7-14(4)10-17)18-11-15(5)8-16(6)20(18)21/h7-12,19,21H,1-6H3
InChIKeyTZWIOZKHMGXTFS-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.41
Rot. Bonds3

About 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol

2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol (PubChem CID 18336370) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol
PubChem CID18336370
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol
SMILESCc1cc(C)cc(C(c2cc(C)cc(C)c2O)C(C)C)c1
InChIInChI=1S/C20H26O/c1-12(2)19(17-9-13(3)7-14(4)10-17)18-11-15(5)8-16(6)20(18)21/h7-12,19,21H,1-6H3
InChIKeyTZWIOZKHMGXTFS-UHFFFAOYSA-N
XLogP5.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
CID 142842410
2,4-dimethyl-6-triacontan-2-ylphenol
CID 19904487
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-(methylamino)ethyl]-4,6-dimethylphenol
CID 18725086
2-[1-(2-hydroxy-3,5-dimethylphenyl)-2-methoxyethyl]-4,6-dimethylphenol
CID 22085903
2-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methyl]-4,6-dimethylphenol
CID 71213924
2-[(1S)-1-aminobutyl]-4,6-dimethylphenol
CID 130920909
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
2-[2-(2-hydroxy-3,5-dimethylphenyl)-2,4-dimethylheptan-3-yl]-4,6-dimethylphenol
CID 139602792
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
2-[(2-hydroxy-3,5-dimethylphenyl)disulfanyl]-4,6-dimethylphenol
CID 22600807
1-(2-fluoro-3,5-dimethylphenyl)ethanol
CID 83988897
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
CID 143591911

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol (CID 18336370) is 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol is Cc1cc(C)cc(C(c2cc(C)cc(C)c2O)C(C)C)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol?
The InChIKey is TZWIOZKHMGXTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-12(2)19(17-9-13(3)7-14(4)10-17)18-11-15(5)8-16(6)20(18)21/h7-12,19,21H,1-6H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol?
2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol has a molecular weight of 282.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenol is sourced from PubChem (CID 18336370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).