[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate

C11H12O4 — CID 11148458

IUPAC[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(C)cc1O
InChIInChI=1S/C11H12O4/c1-7-3-4-9(10(13)5-7)11(14)6-15-8(2)12/h3-5,13H,6H2,1-2H3
InChIKeyLHLJANTYAXQUPZ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.45
Rot. Bonds3

About [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate

[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate (PubChem CID 11148458) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate
PubChem CID11148458
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)c1ccc(C)cc1O
InChIInChI=1S/C11H12O4/c1-7-3-4-9(10(13)5-7)11(14)6-15-8(2)12/h3-5,13H,6H2,1-2H3
InChIKeyLHLJANTYAXQUPZ-UHFFFAOYSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl Salicylate
CID 8365
Butyl salicylate
CID 16330
2-Acetylhydroquinone
CID 10279
2-Hydroxy-4-methylbenzaldehyde
CID 61200
Methyl Gentisate
CID 75077
Propyl salicylate
CID 69092
2-Hydroxy-p-toluic acid
CID 5788
Prenyl salicylate
CID 50216
Ethyl 2-hydroxy-4-methylbenzoate
CID 13013009
Benzoic acid, 2-hydroxy-, octyl ester
CID 62624
2-Hydroxyterephthalic acid
CID 97257
Ethyl 2,5-dihydroxybenzoate
CID 77548

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate?
The IUPAC name of [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate (CID 11148458) is [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate?
The canonical SMILES for [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate is CC(=O)OCC(=O)c1ccc(C)cc1O.
What is the InChIKey of [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate?
The InChIKey is LHLJANTYAXQUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7-3-4-9(10(13)5-7)11(14)6-15-8(2)12/h3-5,13H,6H2,1-2H3.
What are the key properties of [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate?
[2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate has a molecular weight of 208.21 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxy-4-methylphenyl)-2-oxoethyl] acetate is sourced from PubChem (CID 11148458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).