1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H31NO6 — CID 4706096

IUPAC1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OCC
InChIInChI=1S/C27H31NO6/c1-5-7-13-33-21-11-9-18(16-22(21)32-6-2)24-23-25(29)19-15-17(3)8-10-20(19)34-26(23)27(30)28(24)12-14-31-4/h8-11,15-16,24H,5-7,12-14H2,1-4H3
InChIKeyFKDJRXCBXWDEIO-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.87
Rot. Bonds10

About 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706096) has the molecular formula C27H31NO6 and a molecular weight of 465.55 g/mol. Its IUPAC name is 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706096
Molecular FormulaC27H31NO6
Molecular Weight465.55 g/mol
Exact Mass465.22
IUPAC Name1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OCC
InChIInChI=1S/C27H31NO6/c1-5-7-13-33-21-11-9-18(16-22(21)32-6-2)24-23-25(29)19-15-17(3)8-10-20(19)34-26(23)27(30)28(24)12-14-31-4/h8-11,15-16,24H,5-7,12-14H2,1-4H3
InChIKeyFKDJRXCBXWDEIO-UHFFFAOYSA-N
XLogP4.87
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706079
1-(4-butoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706375
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
1-(3-ethoxy-4-pentoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706047
1-(3,4-diethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706042
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691
1-(3-ethoxy-4-pentoxyphenyl)-2-(furan-2-ylmethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820078
1-(4-butoxy-3-ethoxyphenyl)-7-chloro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810178
1-(4-ethoxy-3-methoxyphenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820086
1-(4-butoxy-3-ethoxyphenyl)-2-(3,4-dimethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858134
(1R)-2-[3-(diethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066435

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706096) is 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCOC)cc1OCC.
What is the InChIKey of 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FKDJRXCBXWDEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO6/c1-5-7-13-33-21-11-9-18(16-22(21)32-6-2)24-23-25(29)19-15-17(3)8-10-20(19)34-26(23)27(30)28(24)12-14-31-4/h8-11,15-16,24H,5-7,12-14H2,1-4H3.
What are the key properties of 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.55 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-ethoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).