2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C32H32FNO5 — CID 18856272

IUPAC2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C32H32FNO5/c1-4-6-7-8-17-38-26-15-11-21(18-27(26)37-3)29-28-30(35)24-19-22(33)12-16-25(24)39-31(28)32(36)34(29)23-13-9-20(5-2)10-14-23/h9-16,18-19,29H,4-8,17H2,1-3H3
InChIKeyNGSOFSPMTJFEMY-UHFFFAOYSA-N
MW529.61 g/mol
LogP7.21
Rot. Bonds10

About 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856272) has the molecular formula C32H32FNO5 and a molecular weight of 529.61 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856272
Molecular FormulaC32H32FNO5
Molecular Weight529.61 g/mol
Exact Mass529.23
IUPAC Name2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C32H32FNO5/c1-4-6-7-8-17-38-26-15-11-21(18-27(26)37-3)29-28-30(35)24-19-22(33)12-16-25(24)39-31(28)32(36)34(29)23-13-9-20(5-2)10-14-23/h9-16,18-19,29H,4-8,17H2,1-3H3
InChIKeyNGSOFSPMTJFEMY-UHFFFAOYSA-N
XLogP7.21
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-methoxyphenyl)-7-fluoro-1-(3-methoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855497
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856153
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852425
1-(3-ethoxy-4-pentoxyphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858160
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
ethyl 4-[1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856168
2-benzyl-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810446
2-(4-ethoxyphenyl)-1-(4-hexoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853935
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810330
butyl 4-[7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856301
1-(3-ethoxy-4-pentoxyphenyl)-2-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857157

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856272) is 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OC.
What is the InChIKey of 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NGSOFSPMTJFEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FNO5/c1-4-6-7-8-17-38-26-15-11-21(18-27(26)37-3)29-28-30(35)24-19-22(33)12-16-25(24)39-31(28)32(36)34(29)23-13-9-20(5-2)10-14-23/h9-16,18-19,29H,4-8,17H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 529.61 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).