4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one

C23H20FNO5 — CID 69082594

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one
SMILESCOCOCc1cc2cc(-n3ccc(OCc4ccc(F)cc4)cc3=O)ccc2o1
InChIInChI=1S/C23H20FNO5/c1-27-15-28-14-21-11-17-10-19(6-7-22(17)30-21)25-9-8-20(12-23(25)26)29-13-16-2-4-18(24)5-3-16/h2-12H,13-15H2,1H3
InChIKeyDTGGVNDSEVEDTD-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.42
Rot. Bonds8

About 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one (PubChem CID 69082594) has the molecular formula C23H20FNO5 and a molecular weight of 409.41 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one
PubChem CID69082594
Molecular FormulaC23H20FNO5
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one
SMILESCOCOCc1cc2cc(-n3ccc(OCc4ccc(F)cc4)cc3=O)ccc2o1
InChIInChI=1S/C23H20FNO5/c1-27-15-28-14-21-11-17-10-19(6-7-22(17)30-21)25-9-8-20(12-23(25)26)29-13-16-2-4-18(24)5-3-16/h2-12H,13-15H2,1H3
InChIKeyDTGGVNDSEVEDTD-UHFFFAOYSA-N
XLogP4.42
TPSA62.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one (CID 69082594) is 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one is COCOCc1cc2cc(-n3ccc(OCc4ccc(F)cc4)cc3=O)ccc2o1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one?
The InChIKey is DTGGVNDSEVEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO5/c1-27-15-28-14-21-11-17-10-19(6-7-22(17)30-21)25-9-8-20(12-23(25)26)29-13-16-2-4-18(24)5-3-16/h2-12H,13-15H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one has a molecular weight of 409.41 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-(methoxymethoxymethyl)-1-benzofuran-5-yl]pyridin-2-one is sourced from PubChem (CID 69082594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).