3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

C20H18FNO4 — CID 42580760

IUPAC3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1
InChIInChI=1S/C20H18FNO4/c1-24-9-8-22-10-15-18(26-12-22)7-6-14-19(23)16(11-25-20(14)15)13-4-2-3-5-17(13)21/h2-7,11H,8-10,12H2,1H3
InChIKeyZYZLWJJGUOOBQU-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.40
Rot. Bonds4

About 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 42580760) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID42580760
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESCOCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1
InChIInChI=1S/C20H18FNO4/c1-24-9-8-22-10-15-18(26-12-22)7-6-14-19(23)16(11-25-20(14)15)13-4-2-3-5-17(13)21/h2-7,11H,8-10,12H2,1H3
InChIKeyZYZLWJJGUOOBQU-UHFFFAOYSA-N
XLogP3.40
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 42580760) is 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is COCCN1COc2ccc3c(=O)c(-c4ccccc4F)coc3c2C1.
What is the InChIKey of 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is ZYZLWJJGUOOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-24-9-8-22-10-15-18(26-12-22)7-6-14-19(23)16(11-25-20(14)15)13-4-2-3-5-17(13)21/h2-7,11H,8-10,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 355.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-9-(2-methoxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 42580760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).