2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H29NO5 — CID 18810846

About 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810846) has the molecular formula C30H29NO5 and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810846
• Molecular Formula: C30H29NO5
• Molecular Weight: 483.56 g/mol
• Exact Mass: 483.20
• IUPAC Name: 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1
• InChI: InChI=1S/C30H29NO5/c1-5-14-35-23-12-8-21(9-13-23)27-26-28(32)24-15-18(2)19(3)16-25(24)36-29(26)30(33)31(27)17-20-6-10-22(34-4)11-7-20/h6-13,15-16,27H,5,14,17H2,1-4H3
• InChIKey: GLWQCESYKVIETH-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.56
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810846) is 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1.

What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is GLWQCESYKVIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO5/c1-5-14-35-23-12-8-21(9-13-23)27-26-28(32)24-15-18(2)19(3)16-25(24)36-29(26)30(33)31(27)17-20-6-10-22(34-4)11-7-20/h6-13,15-16,27H,5,14,17H2,1-4H3.

What are the key properties of 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 483.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).