1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H31NO4 — CID 18858199

IUPAC1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C31H31NO4/c1-4-5-6-7-17-35-24-14-12-22(13-15-24)28-27-29(33)25-19-21(3)11-16-26(25)36-30(27)31(34)32(28)23-10-8-9-20(2)18-23/h8-16,18-19,28H,4-7,17H2,1-3H3
InChIKeyVRRGMCBLVFQWCR-UHFFFAOYSA-N
MW481.59 g/mol
LogP7.12
Rot. Bonds8

About 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18858199) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18858199
Molecular FormulaC31H31NO4
Molecular Weight481.59 g/mol
Exact Mass481.23
IUPAC Name1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C31H31NO4/c1-4-5-6-7-17-35-24-14-12-22(13-15-24)28-27-29(33)25-19-21(3)11-16-26(25)36-30(27)31(34)32(28)23-10-8-9-20(2)18-23/h8-16,18-19,28H,4-7,17H2,1-3H3
InChIKeyVRRGMCBLVFQWCR-UHFFFAOYSA-N
XLogP7.12
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-(3-methylphenyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857822
2-(4-bromophenyl)-1-(4-hexoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858187
7-methyl-2-(6-methyl-2-pyridinyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3916642
1-(3-butoxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857968
2-(3-bromophenyl)-7-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858035
1-(3-butoxyphenyl)-2-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857974
2-(3,4-dimethylphenyl)-7-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857686
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857521
2-(4-methylphenyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852453
1-(4-ethylphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857644
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856983
2-(5-chloro-2-pyridinyl)-1-(4-hexoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819329

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18858199) is 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VRRGMCBLVFQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4/c1-4-5-6-7-17-35-24-14-12-22(13-15-24)28-27-29(33)25-19-21(3)11-16-26(25)36-30(27)31(34)32(28)23-10-8-9-20(2)18-23/h8-16,18-19,28H,4-7,17H2,1-3H3.
What are the key properties of 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 481.59 g/mol, XLogP of 7.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18858199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).