2-tert-butyl-6-methylphenol;methane

C12H20O — CID 159779150

IUPAC2-tert-butyl-6-methylphenol;methane
SMILESC.Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C11H16O.CH4/c1-8-6-5-7-9(10(8)12)11(2,3)4;/h5-7,12H,1-4H3;1H4
InChIKeyNHDCSHSLZBYDIV-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.63
Rot. Bonds

About 2-tert-butyl-6-methylphenol;methane

2-tert-butyl-6-methylphenol;methane (PubChem CID 159779150) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-tert-butyl-6-methylphenol;methane.

Molecular Properties

Compound Name2-tert-butyl-6-methylphenol;methane
PubChem CID159779150
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-tert-butyl-6-methylphenol;methane
SMILESC.Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C11H16O.CH4/c1-8-6-5-7-9(10(8)12)11(2,3)4;/h5-7,12H,1-4H3;1H4
InChIKeyNHDCSHSLZBYDIV-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-6-methylphenol
CID 16678
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-[2-[3-[2-(2-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propan-2-yl]-6-methylphenol
CID 70521659
CID 11225844
CID 11225844
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
2-tert-butyl-6-[1-(2-methylphenyl)ethyl]phenol
CID 22216123
2-[2-(4-hydroxyphenyl)propan-2-yl]-6-methylphenol
CID 121304104
1-tert-butyl-2-(2-tert-butyl-6-methylphenyl)-3-methylbenzene;ethane
CID 157489586
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2-[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]-6-methylphenol
CID 140501290

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methylphenol;methane?
The IUPAC name of 2-tert-butyl-6-methylphenol;methane (CID 159779150) is 2-tert-butyl-6-methylphenol;methane.
What is the SMILES notation for 2-tert-butyl-6-methylphenol;methane?
The canonical SMILES for 2-tert-butyl-6-methylphenol;methane is C.Cc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-methylphenol;methane?
The InChIKey is NHDCSHSLZBYDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.CH4/c1-8-6-5-7-9(10(8)12)11(2,3)4;/h5-7,12H,1-4H3;1H4.
What are the key properties of 2-tert-butyl-6-methylphenol;methane?
2-tert-butyl-6-methylphenol;methane has a molecular weight of 180.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methylphenol;methane is sourced from PubChem (CID 159779150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).