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

C23H23NO4 — CID 18879656

IUPAC1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C23H23NO4/c1-4-5-12-27-16-9-7-15(8-10-16)20-19-21(25)17-13-14(2)6-11-18(17)28-22(19)23(26)24(20)3/h6-11,13,20H,4-5,12H2,1-3H3
InChIKeyRGRSDQJYJHFPEI-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.46
Rot. Bonds5

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

1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18879656) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18879656
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1
InChIInChI=1S/C23H23NO4/c1-4-5-12-27-16-9-7-15(8-10-16)20-19-21(25)17-13-14(2)6-11-18(17)28-22(19)23(26)24(20)3/h6-11,13,20H,4-5,12H2,1-3H3
InChIKeyRGRSDQJYJHFPEI-UHFFFAOYSA-N
XLogP4.46
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.46
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-chloro-2-methyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879694
7-chloro-1-(4-hexoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879709
7-bromo-2-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879727
1-(4-butoxyphenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820090
1-(4-ethylphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879654
2-benzyl-1-(4-butoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809810
7-methyl-2-(3-methylphenyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857822
1-(4-hexoxyphenyl)-7-methyl-2-(3-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858199
2-(4-bromophenyl)-1-(4-hexoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858187
7-methyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809806
7-methyl-2-(6-methyl-2-pyridinyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3916642
2-(3,4-dimethylphenyl)-7-methyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857686

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18879656) is 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RGRSDQJYJHFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-4-5-12-27-16-9-7-15(8-10-16)20-19-21(25)17-13-14(2)6-11-18(17)28-22(19)23(26)24(20)3/h6-11,13,20H,4-5,12H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 377.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18879656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).