1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO5 — CID 18856508

IUPAC1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H25NO5/c1-5-33-21-10-6-18(7-11-21)25-24-26(30)22-14-16(2)17(3)15-23(22)34-27(24)28(31)29(25)19-8-12-20(32-4)13-9-19/h6-15,25H,5H2,1-4H3
InChIKeyFQEDBZZQEODTRU-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.57
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856508) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856508
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H25NO5/c1-5-33-21-10-6-18(7-11-21)25-24-26(30)22-14-16(2)17(3)15-23(22)34-27(24)28(31)29(25)19-8-12-20(32-4)13-9-19/h6-15,25H,5H2,1-4H3
InChIKeyFQEDBZZQEODTRU-UHFFFAOYSA-N
XLogP5.57
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856460
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
2-(4-ethoxyphenyl)-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857282
2-(3-chloro-4-methoxyphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856517
2-(4-acetylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856520
2-(4-fluorophenyl)-1-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856856
1-(4-butoxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856783
2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
2-(3-methoxyphenyl)-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856702
(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40774186
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685
6,7-dimethyl-2-(4-methylphenyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856722

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856508) is 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FQEDBZZQEODTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-5-33-21-10-6-18(7-11-21)25-24-26(30)22-14-16(2)17(3)15-23(22)34-27(24)28(31)29(25)19-8-12-20(32-4)13-9-19/h6-15,25H,5H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 455.51 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).