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

C28H24FNO5 — CID 18852425

IUPAC1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C28H24FNO5/c1-3-4-15-34-22-14-9-17(16-23(22)33-2)25-24-26(31)20-7-5-6-8-21(20)35-27(24)28(32)30(25)19-12-10-18(29)11-13-19/h5-14,16,25H,3-4,15H2,1-2H3
InChIKeyHZCUPRCBKCMWIK-UHFFFAOYSA-N
MW473.50 g/mol
LogP5.87
Rot. Bonds7

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

1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852425) has the molecular formula C28H24FNO5 and a molecular weight of 473.50 g/mol. Its IUPAC name is 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852425
Molecular FormulaC28H24FNO5
Molecular Weight473.50 g/mol
Exact Mass473.16
IUPAC Name1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC
InChIInChI=1S/C28H24FNO5/c1-3-4-15-34-22-14-9-17(16-23(22)33-2)25-24-26(31)20-7-5-6-8-21(20)35-27(24)28(32)30(25)19-12-10-18(29)11-13-19/h5-14,16,25H,3-4,15H2,1-2H3
InChIKeyHZCUPRCBKCMWIK-UHFFFAOYSA-N
XLogP5.87
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2223999
1-(4-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852168
1-(4-butoxy-3-methoxyphenyl)-7-fluoro-2-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855791
2-(4-ethylphenyl)-7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856272
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-methoxy-4-(3-methylbutoxy)phenyl]-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852399
1-(3-methoxy-4-pentoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879625
1-(3-ethoxy-4-pentoxyphenyl)-2-(4-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857157
1-(4-hexoxy-3-methoxyphenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18879643
1-(4-butoxy-3-methoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856783
1-(4-butoxy-3-methoxyphenyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4993505
ethyl 4-[1-(4-butoxy-3-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]benzoate
CID 18852790

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852425) is 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HZCUPRCBKCMWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO5/c1-3-4-15-34-22-14-9-17(16-23(22)33-2)25-24-26(31)20-7-5-6-8-21(20)35-27(24)28(32)30(25)19-12-10-18(29)11-13-19/h5-14,16,25H,3-4,15H2,1-2H3.
What are the key properties of 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 473.50 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methoxyphenyl)-2-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).