methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate

C12H14O5 — CID 586167

IUPACmethyl 2-acetyloxy-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1OC
InChIInChI=1S/C12H14O5/c1-8(13)17-11(12(14)16-3)9-6-4-5-7-10(9)15-2/h4-7,11H,1-3H3
InChIKeyHTHKNOOCCYMZEO-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.47
Rot. Bonds4

About methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate

methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate (PubChem CID 586167) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-(2-methoxyphenyl)acetate
PubChem CID586167
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-acetyloxy-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1OC
InChIInChI=1S/C12H14O5/c1-8(13)17-11(12(14)16-3)9-6-4-5-7-10(9)15-2/h4-7,11H,1-3H3
InChIKeyHTHKNOOCCYMZEO-UHFFFAOYSA-N
XLogP1.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate (CID 586167) is methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate is COC(=O)C(OC(C)=O)c1ccccc1OC.
What is the InChIKey of methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate?
The InChIKey is HTHKNOOCCYMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-8(13)17-11(12(14)16-3)9-6-4-5-7-10(9)15-2/h4-7,11H,1-3H3.
What are the key properties of methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate?
methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate has a molecular weight of 238.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).