3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol

C12H18O2 — CID 58599740

IUPAC3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
SMILESCCc1cc(COC)c(C)c(O)c1C
InChIInChI=1S/C12H18O2/c1-5-10-6-11(7-14-4)9(3)12(13)8(10)2/h6,13H,5,7H2,1-4H3
InChIKeyHQVQWJPOKRHJDT-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.72
Rot. Bonds3

About 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol

3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol (PubChem CID 58599740) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
PubChem CID58599740
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol
SMILESCCc1cc(COC)c(C)c(O)c1C
InChIInChI=1S/C12H18O2/c1-5-10-6-11(7-14-4)9(3)12(13)8(10)2/h6,13H,5,7H2,1-4H3
InChIKeyHQVQWJPOKRHJDT-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol?
The IUPAC name of 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol (CID 58599740) is 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol.
What is the SMILES notation for 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol?
The canonical SMILES for 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol is CCc1cc(COC)c(C)c(O)c1C.
What is the InChIKey of 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol?
The InChIKey is HQVQWJPOKRHJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-5-10-6-11(7-14-4)9(3)12(13)8(10)2/h6,13H,5,7H2,1-4H3.
What are the key properties of 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol?
3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol has a molecular weight of 194.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(methoxymethyl)-2,6-dimethylphenol is sourced from PubChem (CID 58599740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).