3-tert-butyl-4-methoxy-2,6-dimethylphenol

C13H20O2 — CID 58864792

IUPAC3-tert-butyl-4-methoxy-2,6-dimethylphenol
SMILESCOc1cc(C)c(O)c(C)c1C(C)(C)C
InChIInChI=1S/C13H20O2/c1-8-7-10(15-6)11(13(3,4)5)9(2)12(8)14/h7,14H,1-6H3
InChIKeyZMCRKNZBAUNTEM-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.32
Rot. Bonds1

About 3-tert-butyl-4-methoxy-2,6-dimethylphenol

3-tert-butyl-4-methoxy-2,6-dimethylphenol (PubChem CID 58864792) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-tert-butyl-4-methoxy-2,6-dimethylphenol.

Molecular Properties

Compound Name3-tert-butyl-4-methoxy-2,6-dimethylphenol
PubChem CID58864792
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-tert-butyl-4-methoxy-2,6-dimethylphenol
SMILESCOc1cc(C)c(O)c(C)c1C(C)(C)C
InChIInChI=1S/C13H20O2/c1-8-7-10(15-6)11(13(3,4)5)9(2)12(8)14/h7,14H,1-6H3
InChIKeyZMCRKNZBAUNTEM-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
2-tert-butyl-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 59583902
4-(2-hydroxypropan-2-yl)-2-methoxy-6-methylphenol
CID 117286306
2,3-dimethoxy-5,6-dimethylphenol
CID 53405608
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
2,6-ditert-butyl-4-methoxy-3,5-dimethylphenol
CID 58031358
2-tert-butyl-3,5,6-trimethylphenol
CID 21325620
2-tert-butyl-1-methoxy-3-methyl-5-propan-2-ylbenzene
CID 170384005
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
3,5-ditert-butyl-2,4,6-trimethylphenol
CID 19934176
5-tert-butyl-1,3-dimethoxy-2-methylbenzene
CID 59572485
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-methoxy-2,6-dimethylphenol?
The IUPAC name of 3-tert-butyl-4-methoxy-2,6-dimethylphenol (CID 58864792) is 3-tert-butyl-4-methoxy-2,6-dimethylphenol.
What is the SMILES notation for 3-tert-butyl-4-methoxy-2,6-dimethylphenol?
The canonical SMILES for 3-tert-butyl-4-methoxy-2,6-dimethylphenol is COc1cc(C)c(O)c(C)c1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-4-methoxy-2,6-dimethylphenol?
The InChIKey is ZMCRKNZBAUNTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8-7-10(15-6)11(13(3,4)5)9(2)12(8)14/h7,14H,1-6H3.
What are the key properties of 3-tert-butyl-4-methoxy-2,6-dimethylphenol?
3-tert-butyl-4-methoxy-2,6-dimethylphenol has a molecular weight of 208.30 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-methoxy-2,6-dimethylphenol is sourced from PubChem (CID 58864792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).