1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H33NO6 — CID 4706346

IUPAC1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1OC
InChIInChI=1S/C28H33NO6/c1-4-5-6-9-17-34-22-14-13-19(18-23(22)33-3)25-24-26(30)20-11-7-8-12-21(20)35-27(24)28(31)29(25)15-10-16-32-2/h7-8,11-14,18,25H,4-6,9-10,15-17H2,1-3H3
InChIKeyRUIBXDUAKLNCON-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.34
Rot. Bonds12

About 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706346) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706346
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Name1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1OC
InChIInChI=1S/C28H33NO6/c1-4-5-6-9-17-34-22-14-13-19(18-23(22)33-3)25-24-26(30)20-11-7-8-12-21(20)35-27(24)28(31)29(25)15-10-16-32-2/h7-8,11-14,18,25H,4-6,9-10,15-17H2,1-3H3
InChIKeyRUIBXDUAKLNCON-UHFFFAOYSA-N
XLogP5.34
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.34
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

(1S)-1-(4-hexoxy-3-methoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316894
1-(3,4-dimethoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706307
1-(3-ethoxy-4-pentoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706047
1-(4-hexoxy-3-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879643
1-(4-butoxy-3-methoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702864
1-(3-methoxy-4-pentoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705096
1-(3-methoxy-4-pentoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879625
1-(4-butoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706375
2-[(2-chlorophenyl)methyl]-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809720
2-[3-(dimethylamino)propyl]-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702880
2-[3-(dibutylamino)propyl]-1-(3,4-dimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702810
1-(3,4-diethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706042

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706346) is 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC)cc1OC.
What is the InChIKey of 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is RUIBXDUAKLNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO6/c1-4-5-6-9-17-34-22-14-13-19(18-23(22)33-3)25-24-26(30)20-11-7-8-12-21(20)35-27(24)28(31)29(25)15-10-16-32-2/h7-8,11-14,18,25H,4-6,9-10,15-17H2,1-3H3.
What are the key properties of 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.57 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).