(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H24FNO6 — CID 2000662

About (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2000662) has the molecular formula C27H24FNO6 and a molecular weight of 477.49 g/mol. Its IUPAC name is (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2000662
• Molecular Formula: C27H24FNO6
• Molecular Weight: 477.49 g/mol
• Exact Mass: 477.16
• IUPAC Name: (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCC(C)C
• InChI: InChI=1S/C27H24FNO6/c1-15(2)14-34-21-8-6-16(11-22(21)32-3)24-23-25(30)19-12-17(28)7-9-20(19)35-26(23)27(31)29(24)13-18-5-4-10-33-18/h4-12,15,24H,13-14H2,1-3H3/t24-/m0/s1
• InChIKey: AXSDSHQTENZLRN-DEOSSOPVSA-N
• XLogP: 5.31
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2000662) is (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCC(C)C.

What is the InChIKey of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is AXSDSHQTENZLRN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H24FNO6/c1-15(2)14-34-21-8-6-16(11-22(21)32-3)24-23-25(30)19-12-17(28)7-9-20(19)35-26(23)27(31)29(24)13-18-5-4-10-33-18/h4-12,15,24H,13-14H2,1-3H3/t24-/m0/s1.

What are the key properties of (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.49 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-7-fluoro-2-(furan-2-ylmethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2000662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).