methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate

C11H12O5 — CID 101235957

IUPACmethyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1O
InChIInChI=1S/C11H12O5/c1-7(12)16-10(11(14)15-2)8-5-3-4-6-9(8)13/h3-6,10,13H,1-2H3
InChIKeyLTGQTNQMNARHJQ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.17
Rot. Bonds3

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

methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate (PubChem CID 101235957) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate
PubChem CID101235957
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate
SMILESCOC(=O)C(OC(C)=O)c1ccccc1O
InChIInChI=1S/C11H12O5/c1-7(12)16-10(11(14)15-2)8-5-3-4-6-9(8)13/h3-6,10,13H,1-2H3
InChIKeyLTGQTNQMNARHJQ-UHFFFAOYSA-N
XLogP1.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-acetyloxy-2-(2-methylphenyl)acetate
CID 125477072
2-(1-acetyloxy-2-methoxy-2-oxoethyl)-5-aminobenzoic acid
CID 4635106
methyl 2-formamido-2-(2-hydroxyphenyl)acetate
CID 10125158
methyl 2-hydroxy-2-(3-hydroxy-2-methylsulfanylphenyl)acetate
CID 117328833
methyl 2-aminooxy-2-(2-methoxyphenyl)acetate
CID 105464749
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
methyl 2-acetyloxy-2-(3-methylsulfonyloxyphenyl)acetate
CID 87297807
methyl 2-(2-hydroxyphenyl)-2-(prop-2-ynylamino)acetate
CID 116684991
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl (2R,3S)-2-acetyloxy-3-amino-3-phenylpropanoate
CID 66701707
(2-methoxy-2-oxo-1-phenylethyl) 3-oxobutanoate
CID 54537935
methyl 2-[acetyloxy(chloro)methyl]benzoate
CID 140615653

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate (CID 101235957) is methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate is COC(=O)C(OC(C)=O)c1ccccc1O.
What is the InChIKey of methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate?
The InChIKey is LTGQTNQMNARHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(12)16-10(11(14)15-2)8-5-3-4-6-9(8)13/h3-6,10,13H,1-2H3.
What are the key properties of methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate?
methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate has a molecular weight of 224.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-(2-hydroxyphenyl)acetate is sourced from PubChem (CID 101235957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).