4-ethyl-2,6-dimethylphenol;methane

C11H18O — CID 159618487

IUPAC4-ethyl-2,6-dimethylphenol;methane
SMILESC.CCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C10H14O.CH4/c1-4-9-5-7(2)10(11)8(3)6-9;/h5-6,11H,4H2,1-3H3;1H4
InChIKeyMNPAQMSXMFBYNP-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.21
Rot. Bonds1

About 4-ethyl-2,6-dimethylphenol;methane

4-ethyl-2,6-dimethylphenol;methane (PubChem CID 159618487) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethylphenol;methane.

Molecular Properties

Compound Name4-ethyl-2,6-dimethylphenol;methane
PubChem CID159618487
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4-ethyl-2,6-dimethylphenol;methane
SMILESC.CCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C10H14O.CH4/c1-4-9-5-7(2)10(11)8(3)6-9;/h5-6,11H,4H2,1-3H3;1H4
InChIKeyMNPAQMSXMFBYNP-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethylphenol;methane?
The IUPAC name of 4-ethyl-2,6-dimethylphenol;methane (CID 159618487) is 4-ethyl-2,6-dimethylphenol;methane.
What is the SMILES notation for 4-ethyl-2,6-dimethylphenol;methane?
The canonical SMILES for 4-ethyl-2,6-dimethylphenol;methane is C.CCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-ethyl-2,6-dimethylphenol;methane?
The InChIKey is MNPAQMSXMFBYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.CH4/c1-4-9-5-7(2)10(11)8(3)6-9;/h5-6,11H,4H2,1-3H3;1H4.
What are the key properties of 4-ethyl-2,6-dimethylphenol;methane?
4-ethyl-2,6-dimethylphenol;methane has a molecular weight of 166.26 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethylphenol;methane is sourced from PubChem (CID 159618487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).