2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one

C20H18FNO4 — CID 155301479

IUPAC2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(F)cc3)oc2c1N1CCCC1
InChIInChI=1S/C20H18FNO4/c1-25-17-11-15(24)18-14(23)10-16(12-4-6-13(21)7-5-12)26-20(18)19(17)22-8-2-3-9-22/h4-7,10-11,24H,2-3,8-9H2,1H3
InChIKeyPHLLCLPYGZREMP-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.91
Rot. Bonds3

About 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one

2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one (PubChem CID 155301479) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one
PubChem CID155301479
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccc(F)cc3)oc2c1N1CCCC1
InChIInChI=1S/C20H18FNO4/c1-25-17-11-15(24)18-14(23)10-16(12-4-6-13(21)7-5-12)26-20(18)19(17)22-8-2-3-9-22/h4-7,10-11,24H,2-3,8-9H2,1H3
InChIKeyPHLLCLPYGZREMP-UHFFFAOYSA-N
XLogP3.91
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one (CID 155301479) is 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one is COc1cc(O)c2c(=O)cc(-c3ccc(F)cc3)oc2c1N1CCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one?
The InChIKey is PHLLCLPYGZREMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-25-17-11-15(24)18-14(23)10-16(12-4-6-13(21)7-5-12)26-20(18)19(17)22-8-2-3-9-22/h4-7,10-11,24H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one?
2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one has a molecular weight of 355.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hydroxy-7-methoxy-8-pyrrolidin-1-ylchromen-4-one is sourced from PubChem (CID 155301479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).