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

C32H33NO5 — CID 19109184

IUPAC1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C32H33NO5/c1-18(2)17-37-24-12-11-23(15-25(24)36-6)29-28-30(34)27-21(5)13-20(4)14-26(27)38-31(28)32(35)33(29)16-22-9-7-19(3)8-10-22/h7-15,18,29H,16-17H2,1-6H3
InChIKeyNOCWSTRKKVKMAQ-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.51
Rot. Bonds7

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

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19109184) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19109184
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C
InChIInChI=1S/C32H33NO5/c1-18(2)17-37-24-12-11-23(15-25(24)36-6)29-28-30(34)27-21(5)13-20(4)14-26(27)38-31(28)32(35)33(29)16-22-9-7-19(3)8-10-22/h7-15,18,29H,16-17H2,1-6H3
InChIKeyNOCWSTRKKVKMAQ-UHFFFAOYSA-N
XLogP6.51
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178
2-(2-hydroxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109174
7-chloro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882590
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890941
2-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890938
1-(3-ethoxy-4-phenylmethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109027
7-fluoro-2-[(4-fluorophenyl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810457
1-(4-ethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890718
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890835
1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890683
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19109184) is 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)ccc1OCC(C)C.
What is the InChIKey of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NOCWSTRKKVKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO5/c1-18(2)17-37-24-12-11-23(15-25(24)36-6)29-28-30(34)27-21(5)13-20(4)14-26(27)38-31(28)32(35)33(29)16-22-9-7-19(3)8-10-22/h7-15,18,29H,16-17H2,1-6H3.
What are the key properties of 1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 511.62 g/mol, XLogP of 6.51, 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-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19109184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).