2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H26FNO6 — CID 18856094

IUPAC2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC
InChIInChI=1S/C30H26FNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(34)22-16-20(31)9-13-23(22)38-29(26)30(35)32(27)21-10-6-18(7-11-21)17(3)33/h6-13,15-16,27H,4-5,14H2,1-3H3
InChIKeyDCZQHBNIXIABCM-UHFFFAOYSA-N
MW515.54 g/mol
LogP6.07
Rot. Bonds8

About 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856094) has the molecular formula C30H26FNO6 and a molecular weight of 515.54 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18856094
Molecular FormulaC30H26FNO6
Molecular Weight515.54 g/mol
Exact Mass515.17
IUPAC Name2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC
InChIInChI=1S/C30H26FNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(34)22-16-20(31)9-13-23(22)38-29(26)30(35)32(27)21-10-6-18(7-11-21)17(3)33/h6-13,15-16,27H,4-5,14H2,1-3H3
InChIKeyDCZQHBNIXIABCM-UHFFFAOYSA-N
XLogP6.07
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylphenyl)-1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855626
ethyl 4-[1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18856168
1-(3,4-diethoxyphenyl)-2-(4-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856070
1-(3-ethoxy-4-pentoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856153
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-fluoro-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856179
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858077
1-(3-ethoxy-4-propoxyphenyl)-2-(4-ethylphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858088
1-(4-ethoxy-3-methoxyphenyl)-7-fluoro-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855523
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820879
butyl 4-[1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18855617
1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707085
7-bromo-2-(4-ethoxyphenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855080

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856094) is 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC.
What is the InChIKey of 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DCZQHBNIXIABCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(34)22-16-20(31)9-13-23(22)38-29(26)30(35)32(27)21-10-6-18(7-11-21)17(3)33/h6-13,15-16,27H,4-5,14H2,1-3H3.
What are the key properties of 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 515.54 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-1-(3-ethoxy-4-propoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).