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

C26H29NO6 — CID 19109174

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

2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109174) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19109174
• Molecular Formula: C26H29NO6
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.20
• IUPAC Name: 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)ccc1OCC(C)C
• InChI: InChI=1S/C26H29NO6/c1-14(2)13-32-18-7-6-17(12-19(18)31-5)23-22-24(29)21-16(4)10-15(3)11-20(21)33-25(22)26(30)27(23)8-9-28/h6-7,10-12,14,23,28H,8-9,13H2,1-5H3
• InChIKey: SLPLAEAAHUKIHD-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 89.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109174) is 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCO)ccc1OCC(C)C.

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

The InChIKey is SLPLAEAAHUKIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-14(2)13-32-18-7-6-17(12-19(18)31-5)23-22-24(29)21-16(4)10-15(3)11-20(21)33-25(22)26(30)27(23)8-9-28/h6-7,10-12,14,23,28H,8-9,13H2,1-5H3.

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

2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 451.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).