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

C30H29NO4 — CID 18890865

IUPAC6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C30H29NO4/c1-5-14-34-23-12-10-22(11-13-23)27-26-28(32)25-20(4)15-19(3)16-24(25)35-29(26)30(33)31(27)17-21-8-6-18(2)7-9-21/h6-13,15-16,27H,5,14,17H2,1-4H3
InChIKeyKJNHDAWYUOMVCZ-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.25
Rot. Bonds6

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

6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890865) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890865
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C30H29NO4/c1-5-14-34-23-12-10-22(11-13-23)27-26-28(32)25-20(4)15-19(3)16-24(25)35-29(26)30(33)31(27)17-21-8-6-18(2)7-9-21/h6-13,15-16,27H,5,14,17H2,1-4H3
InChIKeyKJNHDAWYUOMVCZ-UHFFFAOYSA-N
XLogP6.25
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(4-ethoxyphenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890718
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108758
7-methyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809806
1-(4-bromophenyl)-6,8-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890683
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890858
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
2-benzyl-6,8-dimethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890900
(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
2-(3-hydroxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108747
2-(3-methoxypropyl)-6,8-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108749
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810846
(1R)-1-(4-butoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2213890

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890865) is 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KJNHDAWYUOMVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-5-14-34-23-12-10-22(11-13-23)27-26-28(32)25-20(4)15-19(3)16-24(25)35-29(26)30(33)31(27)17-21-8-6-18(2)7-9-21/h6-13,15-16,27H,5,14,17H2,1-4H3.
What are the key properties of 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.57 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).