2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H31NO6 — CID 18880912

About 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880912) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18880912
• Molecular Formula: C30H31NO6
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.22
• IUPAC Name: 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C
• InChI: InChI=1S/C30H31NO6/c1-17(2)10-12-36-23-9-8-20(15-24(23)34-5)26-25-27(32)22-14-18(3)13-19(4)28(22)37-29(25)30(33)31(26)16-21-7-6-11-35-21/h6-9,11,13-15,17,26H,10,12,16H2,1-5H3
• InChIKey: CZGZSMLCTQXFMV-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880912) is 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCCC(C)C.

What is the InChIKey of 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CZGZSMLCTQXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO6/c1-17(2)10-12-36-23-9-8-20(15-24(23)34-5)26-25-27(32)22-14-18(3)13-19(4)28(22)37-29(25)30(33)31(26)16-21-7-6-11-35-21/h6-9,11,13-15,17,26H,10,12,16H2,1-5H3.

What are the key properties of 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 501.58 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-ylmethyl)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).