1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H31NO5 — CID 19109178

About 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109178) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19109178
• Molecular Formula: C27H31NO5
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.22
• IUPAC Name: 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCC(C)C)c(OC)c1
• InChI: InChI=1S/C27H31NO5/c1-7-10-28-24(18-8-9-19(20(13-18)31-6)32-14-15(2)3)23-25(29)22-17(5)11-16(4)12-21(22)33-26(23)27(28)30/h8-9,11-13,15,24H,7,10,14H2,1-6H3
• InChIKey: OEJNTZMXUUVPRO-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109178) is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(OCC(C)C)c(OC)c1.

What is the InChIKey of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OEJNTZMXUUVPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO5/c1-7-10-28-24(18-8-9-19(20(13-18)31-6)32-14-15(2)3)23-25(29)22-17(5)11-16(4)12-21(22)33-26(23)27(28)30/h8-9,11-13,15,24H,7,10,14H2,1-6H3.

What are the key properties of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.55 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).