[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate

C18H15NO5 — CID 770963

IUPAC[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H15NO5/c1-23-15-5-3-2-4-14(15)18(22)24-13-8-6-12(7-9-13)19-16(20)10-11-17(19)21/h2-9H,10-11H2,1H3
InChIKeyRMKCINRFECKQNR-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.57
Rot. Bonds4

About [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate

[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate (PubChem CID 770963) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate
PubChem CID770963
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H15NO5/c1-23-15-5-3-2-4-14(15)18(22)24-13-8-6-12(7-9-13)19-16(20)10-11-17(19)21/h2-9H,10-11H2,1H3
InChIKeyRMKCINRFECKQNR-UHFFFAOYSA-N
XLogP2.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 21102
Acetaminosalol
CID 1984
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Eterilate
CID 44258
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
4-(2,5-Dioxo-1-pyrrolidinyl)-3-methylphenyl 4-methylbenzoate
CID 972479
4-(2,5-Dioxopyrrolidin-1-yl)-3-methylphenyl 3-methoxybenzoate
CID 972962
N-[4-[2-(2-acetylphenoxy)ethoxy]phenyl]acetamide
CID 2527725
Methyl 2-{4-[(3-chloropropanoyl)amino]phenoxy}benzenecarboxylate
CID 3741737
N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide
CID 668882
2-(2,5-Dioxoazolidinyl)phenyl 2-phenylacetate
CID 770964

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate?
The IUPAC name of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate (CID 770963) is [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate.
What is the SMILES notation for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate?
The canonical SMILES for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate?
The InChIKey is RMKCINRFECKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-15-5-3-2-4-14(15)18(22)24-13-8-6-12(7-9-13)19-16(20)10-11-17(19)21/h2-9H,10-11H2,1H3.
What are the key properties of [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate?
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate has a molecular weight of 325.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dioxopyrrolidin-1-yl)phenyl] 2-methoxybenzoate is sourced from PubChem (CID 770963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).