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

C25H18FNO5 — CID 15991316

IUPAC7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H18FNO5/c1-31-18-9-2-14(3-10-18)13-27-22(15-4-7-17(28)8-5-15)21-23(29)19-12-16(26)6-11-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3
InChIKeySPEMHYHCFUPRPR-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.39
Rot. Bonds4

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

7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 15991316) has the molecular formula C25H18FNO5 and a molecular weight of 431.42 g/mol. Its IUPAC name is 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID15991316
Molecular FormulaC25H18FNO5
Molecular Weight431.42 g/mol
Exact Mass431.12
IUPAC Name7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(O)cc2)cc1
InChIInChI=1S/C25H18FNO5/c1-31-18-9-2-14(3-10-18)13-27-22(15-4-7-17(28)8-5-15)21-23(29)19-12-16(26)6-11-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3
InChIKeySPEMHYHCFUPRPR-UHFFFAOYSA-N
XLogP4.39
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 15991316) is 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3C2c2ccc(O)cc2)cc1.
What is the InChIKey of 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SPEMHYHCFUPRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FNO5/c1-31-18-9-2-14(3-10-18)13-27-22(15-4-7-17(28)8-5-15)21-23(29)19-12-16(26)6-11-20(19)32-24(21)25(27)30/h2-12,22,28H,13H2,1H3.
What are the key properties of 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 15991316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).