2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H33NO5 — CID 4886921

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4886921) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4886921
• Molecular Formula: C32H33NO5
• Molecular Weight: 511.62 g/mol
• Exact Mass: 511.24
• IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3C2c2ccc(C(C)C)cc2)cc1OC
• InChI: InChI=1S/C32H33NO5/c1-18(2)22-8-10-23(11-9-22)28-27-29(34)24-16-19(3)15-20(4)30(24)38-31(27)32(35)33(28)14-13-21-7-12-25(36-5)26(17-21)37-6/h7-12,15-18,28H,13-14H2,1-6H3
• InChIKey: YRAMODCHZZWNHG-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4886921) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3C2c2ccc(C(C)C)cc2)cc1OC.

What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is YRAMODCHZZWNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-18(2)22-8-10-23(11-9-22)28-27-29(34)24-16-19(3)15-20(4)30(24)38-31(27)32(35)33(28)14-13-21-7-12-25(36-5)26(17-21)37-6/h7-12,15-18,28H,13-14H2,1-6H3.

What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.62 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4886921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).