methyl 2-acetyloxy-5-methoxybenzoate

C11H12O5 — CID 131843602

IUPACmethyl 2-acetyloxy-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)16-10-5-4-8(14-2)6-9(10)11(13)15-3/h4-6H,1-3H3
InChIKeyREEDMUAUKRQLSZ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-acetyloxy-5-methoxybenzoate

methyl 2-acetyloxy-5-methoxybenzoate (PubChem CID 131843602) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 2-acetyloxy-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-5-methoxybenzoate
PubChem CID131843602
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-acetyloxy-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)ccc1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)16-10-5-4-8(14-2)6-9(10)11(13)15-3/h4-6H,1-3H3
InChIKeyREEDMUAUKRQLSZ-UHFFFAOYSA-N
XLogP1.41
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
methyl 2-(2,5-diacetyloxybenzoyl)benzoate
CID 67632321
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
methyl 2-acetyloxy-4,5-dichlorobenzoate
CID 23046714
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
(4-formylphenyl) 2,5-diacetyloxybenzoate
CID 11624300
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-5-methoxybenzoate?
The IUPAC name of methyl 2-acetyloxy-5-methoxybenzoate (CID 131843602) is methyl 2-acetyloxy-5-methoxybenzoate.
What is the SMILES notation for methyl 2-acetyloxy-5-methoxybenzoate?
The canonical SMILES for methyl 2-acetyloxy-5-methoxybenzoate is COC(=O)c1cc(OC)ccc1OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-5-methoxybenzoate?
The InChIKey is REEDMUAUKRQLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(12)16-10-5-4-8(14-2)6-9(10)11(13)15-3/h4-6H,1-3H3.
What are the key properties of methyl 2-acetyloxy-5-methoxybenzoate?
methyl 2-acetyloxy-5-methoxybenzoate has a molecular weight of 224.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-5-methoxybenzoate is sourced from PubChem (CID 131843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).