2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol

C13H20O3 — CID 59672204

IUPAC2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
SMILESCCc1c(COC)cc(COC)c(C)c1O
InChIInChI=1S/C13H20O3/c1-5-12-11(8-16-4)6-10(7-15-3)9(2)13(12)14/h6,14H,5,7-8H2,1-4H3
InChIKeyQCQBUVQSPXOCAO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.56
Rot. Bonds5

About 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol

2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol (PubChem CID 59672204) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol.

Molecular Properties

Compound Name2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
PubChem CID59672204
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol
SMILESCCc1c(COC)cc(COC)c(C)c1O
InChIInChI=1S/C13H20O3/c1-5-12-11(8-16-4)6-10(7-15-3)9(2)13(12)14/h6,14H,5,7-8H2,1-4H3
InChIKeyQCQBUVQSPXOCAO-UHFFFAOYSA-N
XLogP2.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol?
The IUPAC name of 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol (CID 59672204) is 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol.
What is the SMILES notation for 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol?
The canonical SMILES for 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol is CCc1c(COC)cc(COC)c(C)c1O.
What is the InChIKey of 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol?
The InChIKey is QCQBUVQSPXOCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-12-11(8-16-4)6-10(7-15-3)9(2)13(12)14/h6,14H,5,7-8H2,1-4H3.
What are the key properties of 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol?
2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol has a molecular weight of 224.30 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-bis(methoxymethyl)-6-methylphenol is sourced from PubChem (CID 59672204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).