2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane

C22H42O — CID 158537359

IUPAC2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
SMILESC.CCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1.CCC(C)C
InChIInChI=1S/C16H26O.C5H12.CH4/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5;1-4-5(2)3;/h9-10,17H,8H2,1-7H3;5H,4H2,1-3H3;1H4
InChIKeyHOCIPKBGOGVIIG-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.37
Rot. Bonds3

About 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane

2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane (PubChem CID 158537359) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
PubChem CID158537359
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane
SMILESC.CCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1.CCC(C)C
InChIInChI=1S/C16H26O.C5H12.CH4/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5;1-4-5(2)3;/h9-10,17H,8H2,1-7H3;5H,4H2,1-3H3;1H4
InChIKeyHOCIPKBGOGVIIG-UHFFFAOYSA-N
XLogP7.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane 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-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
2-tert-butyl-4-(6-hydroxy-2-methylheptan-2-yl)-6-methylphenol
CID 88687276
5-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2,5-dimethylhexanoic acid
CID 88714569
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butyl-6-methyl-4-[1,2,2-tris(3-tert-butyl-4-hydroxy-5-methylphenyl)ethyl]phenol
CID 22725885
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
1,3-ditert-butyl-5-(2-methylbutan-2-yl)benzene
CID 123729518
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]-6-methylphenol;2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 160596622
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
2-[(1S)-1-amino-4-methylpentyl]-4,6-ditert-butylphenol;hydrochloride
CID 171221472

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane?
The IUPAC name of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane (CID 158537359) is 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane.
What is the SMILES notation for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane?
The canonical SMILES for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane is C.CCC(C)(C)c1cc(C)c(O)c(C(C)(C)C)c1.CCC(C)C.
What is the InChIKey of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane?
The InChIKey is HOCIPKBGOGVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O.C5H12.CH4/c1-8-16(6,7)12-9-11(2)14(17)13(10-12)15(3,4)5;1-4-5(2)3;/h9-10,17H,8H2,1-7H3;5H,4H2,1-3H3;1H4.
What are the key properties of 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane?
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane has a molecular weight of 322.58 g/mol, XLogP of 7.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol;methane;2-methylbutane is sourced from PubChem (CID 158537359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).