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

C20H18ClNO5 — CID 110583819

IUPAC3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Cl)=C(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H18ClNO5/c1-25-13-7-9-14(10-8-13)27-12-11-22-19(23)17(18(21)20(22)24)15-5-3-4-6-16(15)26-2/h3-10H,11-12H2,1-2H3
InChIKeyISXVNYCCKIUJNW-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.10
Rot. Bonds7

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

3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110583819) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110583819
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC Name3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(Cl)=C(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C20H18ClNO5/c1-25-13-7-9-14(10-8-13)27-12-11-22-19(23)17(18(21)20(22)24)15-5-3-4-6-16(15)26-2/h3-10H,11-12H2,1-2H3
InChIKeyISXVNYCCKIUJNW-UHFFFAOYSA-N
XLogP3.10
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.10
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-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110583819) is 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(OCCN2C(=O)C(Cl)=C(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is ISXVNYCCKIUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-25-13-7-9-14(10-8-13)27-12-11-22-19(23)17(18(21)20(22)24)15-5-3-4-6-16(15)26-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 387.82 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).