[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate

C25H19NO7 — CID 1323928

IUPAC[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCOc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c1
InChIInChI=1S/C25H19NO7/c1-31-17-7-5-6-15(12-17)21(27)14-33-25(30)16-10-11-18-19(13-16)24(29)26(23(18)28)20-8-3-4-9-22(20)32-2/h3-13H,14H2,1-2H3
InChIKeyVRZIFYZRAPVNSW-UHFFFAOYSA-N
MW445.43 g/mol
LogP3.54
Rot. Bonds7

About [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate

[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 1323928) has the molecular formula C25H19NO7 and a molecular weight of 445.43 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID1323928
Molecular FormulaC25H19NO7
Molecular Weight445.43 g/mol
Exact Mass445.12
IUPAC Name[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
SMILESCOc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c1
InChIInChI=1S/C25H19NO7/c1-31-17-7-5-6-15(12-17)21(27)14-33-25(30)16-10-11-18-19(13-16)24(29)26(23(18)28)20-8-3-4-9-22(20)32-2/h3-13H,14H2,1-2H3
InChIKeyVRZIFYZRAPVNSW-UHFFFAOYSA-N
XLogP3.54
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-nitrophenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 23791276
[2-(3-methoxyphenyl)-2-oxoethyl] 2-[4-(2,5-dimethylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate
CID 3404740
phenacyl 2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1035034
[2-(3-aminophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 23987018
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(3-acetylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216669
[2-(4-methylphenyl)-2-oxoethyl] 2-[2-[2-(4-methylphenyl)-2-oxoethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126186063
[2-oxo-2-(4-phenylphenyl)ethyl] 3-methoxybenzoate
CID 795003
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1216905
methyl 3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 4114720
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2,4-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 23739978
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 46814187
phenacyl 2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 1159373

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate (CID 1323928) is [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate is COc1cccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2OC)C3=O)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is VRZIFYZRAPVNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO7/c1-31-17-7-5-6-15(12-17)21(27)14-33-25(30)16-10-11-18-19(13-16)24(29)26(23(18)28)20-8-3-4-9-22(20)32-2/h3-13H,14H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate?
[2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 445.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 1323928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).