2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate

C15H20O4 — CID 11507239

IUPAC2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate
SMILESCC(=O)OCCc1c(C)cc(COC(C)=O)cc1C
InChIInChI=1S/C15H20O4/c1-10-7-14(9-19-13(4)17)8-11(2)15(10)5-6-18-12(3)16/h7-8H,5-6,9H2,1-4H3
InChIKeyWSGJFRXPLZBEJY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.47
Rot. Bonds5

About 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate

2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate (PubChem CID 11507239) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate
PubChem CID11507239
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate
SMILESCC(=O)OCCc1c(C)cc(COC(C)=O)cc1C
InChIInChI=1S/C15H20O4/c1-10-7-14(9-19-13(4)17)8-11(2)15(10)5-6-18-12(3)16/h7-8H,5-6,9H2,1-4H3
InChIKeyWSGJFRXPLZBEJY-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate?
The IUPAC name of 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate (CID 11507239) is 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate.
What is the SMILES notation for 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate?
The canonical SMILES for 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate is CC(=O)OCCc1c(C)cc(COC(C)=O)cc1C.
What is the InChIKey of 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate?
The InChIKey is WSGJFRXPLZBEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-7-14(9-19-13(4)17)8-11(2)15(10)5-6-18-12(3)16/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate?
2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate has a molecular weight of 264.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetyloxymethyl)-2,6-dimethylphenyl]ethyl acetate is sourced from PubChem (CID 11507239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).