methyl 2-(2,5-diacetyloxybenzoyl)benzoate

C19H16O7 — CID 67632321

IUPACmethyl 2-(2,5-diacetyloxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cc(OC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C19H16O7/c1-11(20)25-13-8-9-17(26-12(2)21)16(10-13)18(22)14-6-4-5-7-15(14)19(23)24-3/h4-10H,1-3H3
InChIKeyXYYNIWDIRPMBLM-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.55
Rot. Bonds5

About methyl 2-(2,5-diacetyloxybenzoyl)benzoate

methyl 2-(2,5-diacetyloxybenzoyl)benzoate (PubChem CID 67632321) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is methyl 2-(2,5-diacetyloxybenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2,5-diacetyloxybenzoyl)benzoate
PubChem CID67632321
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Namemethyl 2-(2,5-diacetyloxybenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cc(OC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C19H16O7/c1-11(20)25-13-8-9-17(26-12(2)21)16(10-13)18(22)14-6-4-5-7-15(14)19(23)24-3/h4-10H,1-3H3
InChIKeyXYYNIWDIRPMBLM-UHFFFAOYSA-N
XLogP2.55
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-(2,5-diacetyloxybenzoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
(3-acetyl-4-acetyloxyphenyl) acetate
CID 12746015
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-acetyloxy-5-[(2,5-dimethoxyphenyl)methoxy]benzoate
CID 54212721
methyl 2-acetyloxy-4,5-dichlorobenzoate
CID 23046714
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
[4-acetyloxy-3-(2-chloroacetyl)phenyl] acetate
CID 24975107
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
(4-formylphenyl) 2,5-diacetyloxybenzoate
CID 11624300
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-diacetyloxybenzoyl)benzoate?
The IUPAC name of methyl 2-(2,5-diacetyloxybenzoyl)benzoate (CID 67632321) is methyl 2-(2,5-diacetyloxybenzoyl)benzoate.
What is the SMILES notation for methyl 2-(2,5-diacetyloxybenzoyl)benzoate?
The canonical SMILES for methyl 2-(2,5-diacetyloxybenzoyl)benzoate is COC(=O)c1ccccc1C(=O)c1cc(OC(C)=O)ccc1OC(C)=O.
What is the InChIKey of methyl 2-(2,5-diacetyloxybenzoyl)benzoate?
The InChIKey is XYYNIWDIRPMBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c1-11(20)25-13-8-9-17(26-12(2)21)16(10-13)18(22)14-6-4-5-7-15(14)19(23)24-3/h4-10H,1-3H3.
What are the key properties of methyl 2-(2,5-diacetyloxybenzoyl)benzoate?
methyl 2-(2,5-diacetyloxybenzoyl)benzoate has a molecular weight of 356.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-diacetyloxybenzoyl)benzoate is sourced from PubChem (CID 67632321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).