5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid

C12H10ClNO6 — CID 61329519

IUPAC5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid
SMILESCOc1cc(N2C(=O)COCC2=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C12H10ClNO6/c1-19-9-3-8(7(13)2-6(9)12(17)18)14-10(15)4-20-5-11(14)16/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyHUXWZQOOZIBIMQ-UHFFFAOYSA-N
MW299.67 g/mol
LogP0.94
Rot. Bonds3

About 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid

5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid (PubChem CID 61329519) has the molecular formula C12H10ClNO6 and a molecular weight of 299.67 g/mol. Its IUPAC name is 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid
PubChem CID61329519
Molecular FormulaC12H10ClNO6
Molecular Weight299.67 g/mol
Exact Mass299.02
IUPAC Name5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid
SMILESCOc1cc(N2C(=O)COCC2=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C12H10ClNO6/c1-19-9-3-8(7(13)2-6(9)12(17)18)14-10(15)4-20-5-11(14)16/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyHUXWZQOOZIBIMQ-UHFFFAOYSA-N
XLogP0.94
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.67
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid (CID 61329519) is 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid is COc1cc(N2C(=O)COCC2=O)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid?
The InChIKey is HUXWZQOOZIBIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO6/c1-19-9-3-8(7(13)2-6(9)12(17)18)14-10(15)4-20-5-11(14)16/h2-3H,4-5H2,1H3,(H,17,18).
What are the key properties of 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid?
5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid has a molecular weight of 299.67 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(3,5-dioxomorpholin-4-yl)-2-methoxybenzoic acid is sourced from PubChem (CID 61329519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).