7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H27Cl2NO4 — CID 18882625

About 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882625) has the molecular formula C30H27Cl2NO4 and a molecular weight of 536.46 g/mol. Its IUPAC name is 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882625
• Molecular Formula: C30H27Cl2NO4
• Molecular Weight: 536.46 g/mol
• Exact Mass: 535.13
• IUPAC Name: 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCCC(C)C)c1)N(Cc1ccccc1Cl)C3=O
• InChI: InChI=1S/C30H27Cl2NO4/c1-17(2)11-12-36-21-9-6-8-19(14-21)27-26-28(34)22-15-24(32)18(3)13-25(22)37-29(26)30(35)33(27)16-20-7-4-5-10-23(20)31/h4-10,13-15,17,27H,11-12,16H2,1-3H3
• InChIKey: YZUPAHAULZEZIF-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.46
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882625) is 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1cccc(OCCC(C)C)c1)N(Cc1ccccc1Cl)C3=O.

What is the InChIKey of 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is YZUPAHAULZEZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2NO4/c1-17(2)11-12-36-21-9-6-8-19(14-21)27-26-28(34)22-15-24(32)18(3)13-25(22)37-29(26)30(35)33(27)16-20-7-4-5-10-23(20)31/h4-10,13-15,17,27H,11-12,16H2,1-3H3.

What are the key properties of 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 536.46 g/mol, XLogP of 7.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[(2-chlorophenyl)methyl]-6-methyl-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).