3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione

C18H14ClNO5 — CID 2791433

IUPAC3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Oc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
InChIKeyOUSZOSMRRUQPIA-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.11
Rot. Bonds5

About 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 2791433) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID2791433
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Oc3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3
InChIKeyOUSZOSMRRUQPIA-UHFFFAOYSA-N
XLogP3.11
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione (CID 2791433) is 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C(Cl)=C(Oc3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is OUSZOSMRRUQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-23-12-8-6-11(7-9-12)20-17(21)15(19)16(18(20)22)25-14-5-3-4-13(10-14)24-2/h3-10H,1-2H3.
What are the key properties of 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 359.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-methoxyphenoxy)-1-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 2791433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).