1-(2,4,6-trimethylphenyl)ethyl acetate

C13H18O2 — CID 10442974

IUPAC1-(2,4,6-trimethylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H18O2/c1-8-6-9(2)13(10(3)7-8)11(4)15-12(5)14/h6-7,11H,1-5H3
InChIKeyJJKAGXVZQHQZSO-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.24
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)ethyl acetate

1-(2,4,6-trimethylphenyl)ethyl acetate (PubChem CID 10442974) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)ethyl acetate.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)ethyl acetate
PubChem CID10442974
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2,4,6-trimethylphenyl)ethyl acetate
SMILESCC(=O)OC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C13H18O2/c1-8-6-9(2)13(10(3)7-8)11(4)15-12(5)14/h6-7,11H,1-5H3
InChIKeyJJKAGXVZQHQZSO-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)ethyl acetate?
The IUPAC name of 1-(2,4,6-trimethylphenyl)ethyl acetate (CID 10442974) is 1-(2,4,6-trimethylphenyl)ethyl acetate.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)ethyl acetate?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)ethyl acetate is CC(=O)OC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)ethyl acetate?
The InChIKey is JJKAGXVZQHQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-8-6-9(2)13(10(3)7-8)11(4)15-12(5)14/h6-7,11H,1-5H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)ethyl acetate?
1-(2,4,6-trimethylphenyl)ethyl acetate has a molecular weight of 206.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)ethyl acetate is sourced from PubChem (CID 10442974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).