(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

C19H17NO5 — CID 7204277

IUPAC(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H17NO5/c1-24-16-5-3-2-4-14(16)12-25-19(23)13-6-8-15(9-7-13)20-17(21)10-11-18(20)22/h2-9H,10-12H2,1H3
InChIKeyCORFIHVBMDGLNH-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.71
Rot. Bonds5

About (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate

(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (PubChem CID 7204277) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
PubChem CID7204277
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
SMILESCOc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C19H17NO5/c1-24-16-5-3-2-4-14(16)12-25-19(23)13-6-8-15(9-7-13)20-17(21)10-11-18(20)22/h2-9H,10-12H2,1H3
InChIKeyCORFIHVBMDGLNH-UHFFFAOYSA-N
XLogP2.71
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204414
(5-chloro-2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8731766
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
(2,5-dimethoxyphenyl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808611
(3-methylphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204428
2-methylpropyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 50888168
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 46590512
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
(1,3-diphenylpyrazol-4-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55392353
(4-chlorophenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204282
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 31511205

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The IUPAC name of (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate (CID 7204277) is (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The canonical SMILES for (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is COc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
The InChIKey is CORFIHVBMDGLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-24-16-5-3-2-4-14(16)12-25-19(23)13-6-8-15(9-7-13)20-17(21)10-11-18(20)22/h2-9H,10-12H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate?
(2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate has a molecular weight of 339.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7204277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).