3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate

C21H24O6 — CID 55393887

IUPAC3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCCOC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24O6/c1-24-18-8-4-16(5-9-18)14-20(22)26-12-3-13-27-21(23)15-17-6-10-19(25-2)11-7-17/h4-11H,3,12-15H2,1-2H3
InChIKeyXOSXXIJMTCOMFL-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.97
Rot. Bonds10

About 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate

3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate (PubChem CID 55393887) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
PubChem CID55393887
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCCCOC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H24O6/c1-24-18-8-4-16(5-9-18)14-20(22)26-12-3-13-27-21(23)15-17-6-10-19(25-2)11-7-17/h4-11H,3,12-15H2,1-2H3
InChIKeyXOSXXIJMTCOMFL-UHFFFAOYSA-N
XLogP2.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate 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

decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
3-methoxypropyl 2-(4-sulfanylphenyl)acetate
CID 107018241
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091
2-chloroethyl 2-(6-methoxynaphthalen-2-yl)acetate;methane
CID 67768971
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
methyl 2-[4-(4-methoxyanilino)phenyl]acetate
CID 82535736

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate (CID 55393887) is 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCCCOC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate?
The InChIKey is XOSXXIJMTCOMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-24-18-8-4-16(5-9-18)14-20(22)26-12-3-13-27-21(23)15-17-6-10-19(25-2)11-7-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate?
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate has a molecular weight of 372.42 g/mol, XLogP of 2.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 55393887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).