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

C30H20FNO4 — CID 18852657

IUPAC2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ccc(F)cc1
InChIInChI=1S/C30H20FNO4/c31-21-13-15-22(16-14-21)32-27(20-9-6-10-23(17-20)35-18-19-7-2-1-3-8-19)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2
InChIKeyYPWWRFSDHXYQKZ-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.26
Rot. Bonds5

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

2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852657) has the molecular formula C30H20FNO4 and a molecular weight of 477.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18852657
Molecular FormulaC30H20FNO4
Molecular Weight477.49 g/mol
Exact Mass477.14
IUPAC Name2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ccc(F)cc1
InChIInChI=1S/C30H20FNO4/c31-21-13-15-22(16-14-21)32-27(20-9-6-10-23(17-20)35-18-19-7-2-1-3-8-19)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2
InChIKeyYPWWRFSDHXYQKZ-UHFFFAOYSA-N
XLogP6.26
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-2-(3-methoxyphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856025
7-methyl-2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858005
7-fluoro-1-(3-phenylmethoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3848651
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
7-chloro-2-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853386
7-fluoro-1-(3-phenylmethoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708360
1-(4-fluorophenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852061
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
2-(4-ethoxyphenyl)-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852316
1-(3-methoxyphenyl)-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852309
2-(4-acetylphenyl)-7-fluoro-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855752

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852657) is 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(OCc3ccccc3)c2)N1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YPWWRFSDHXYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FNO4/c31-21-13-15-22(16-14-21)32-27(20-9-6-10-23(17-20)35-18-19-7-2-1-3-8-19)26-28(33)24-11-4-5-12-25(24)36-29(26)30(32)34/h1-17,27H,18H2.
What are the key properties of 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 477.49 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).