2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H23NO4 — CID 18852591

IUPAC2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C27H23NO4/c1-3-14-31-20-11-7-9-18(16-20)24-23-25(29)21-12-4-5-13-22(21)32-26(23)27(30)28(24)19-10-6-8-17(2)15-19/h4-13,15-16,24H,3,14H2,1-2H3
InChIKeyHKGBJVVTVDGDKZ-UHFFFAOYSA-N
MW425.48 g/mol
LogP5.64
Rot. Bonds5

About 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852591) has the molecular formula C27H23NO4 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852591
Molecular FormulaC27H23NO4
Molecular Weight425.48 g/mol
Exact Mass425.16
IUPAC Name2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)c2)c1
InChIInChI=1S/C27H23NO4/c1-3-14-31-20-11-7-9-18(16-20)24-23-25(29)21-12-4-5-13-22(21)32-26(23)27(30)28(24)19-10-6-8-17(2)15-19/h4-13,15-16,24H,3,14H2,1-2H3
InChIKeyHKGBJVVTVDGDKZ-UHFFFAOYSA-N
XLogP5.64
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852582
1-(3-propoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852583
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856983
1-(3-butoxyphenyl)-7-methyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857968
2-(3-chloro-4-methylphenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852676
1-(3-butoxyphenyl)-2-(3-chlorophenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857974
2-(3-methoxyphenyl)-1-[3-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852701
2-(4-bromophenyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852669
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
7-fluoro-2-(4-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855937
2-(3-bromophenyl)-7-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858035
1-(4-methoxyphenyl)-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852503

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852591) is 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HKGBJVVTVDGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4/c1-3-14-31-20-11-7-9-18(16-20)24-23-25(29)21-12-4-5-13-22(21)32-26(23)27(30)28(24)19-10-6-8-17(2)15-19/h4-13,15-16,24H,3,14H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).