methyl 2-acetyloxy-4-methoxybenzoate

C11H12O5 — CID 91721012

IUPACmethyl 2-acetyloxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)16-10-6-8(14-2)4-5-9(10)11(13)15-3/h4-6H,1-3H3
InChIKeyHVPMKAFNQOFPLW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-acetyloxy-4-methoxybenzoate

methyl 2-acetyloxy-4-methoxybenzoate (PubChem CID 91721012) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 2-acetyloxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-4-methoxybenzoate
PubChem CID91721012
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-acetyloxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1OC(C)=O
InChIInChI=1S/C11H12O5/c1-7(12)16-10-6-8(14-2)4-5-9(10)11(13)15-3/h4-6H,1-3H3
InChIKeyHVPMKAFNQOFPLW-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-5-methoxybenzoate
CID 131843602
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
methyl 2-acetyloxy-4-butoxybenzoate
CID 46841949
(4-acetyloxyphenyl) 2,4-dimethoxybenzoate
CID 59769025
(5-methoxy-2-methoxycarbonylphenyl) 3,4-dichlorobenzoate
CID 17391291
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
CID 67761426
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoate
CID 91737509
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507
(5-methoxy-2-methoxycarbonylphenyl) 5,6-dichloropyridine-3-carboxylate
CID 4795346

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-4-methoxybenzoate?
The IUPAC name of methyl 2-acetyloxy-4-methoxybenzoate (CID 91721012) is methyl 2-acetyloxy-4-methoxybenzoate.
What is the SMILES notation for methyl 2-acetyloxy-4-methoxybenzoate?
The canonical SMILES for methyl 2-acetyloxy-4-methoxybenzoate is COC(=O)c1ccc(OC)cc1OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-4-methoxybenzoate?
The InChIKey is HVPMKAFNQOFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7(12)16-10-6-8(14-2)4-5-9(10)11(13)15-3/h4-6H,1-3H3.
What are the key properties of methyl 2-acetyloxy-4-methoxybenzoate?
methyl 2-acetyloxy-4-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-4-methoxybenzoate is sourced from PubChem (CID 91721012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).