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

C19H16FNO4 — CID 75366704

IUPAC3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESO=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCN(CCO)C3
InChIInChI=1S/C19H16FNO4/c20-13-3-1-12(2-4-13)16-10-24-19-14(18(16)23)5-6-17-15(19)9-21(7-8-22)11-25-17/h1-6,10,22H,7-9,11H2
InChIKeyPVPUXBQUJAINQX-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.74
Rot. Bonds3

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

3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (PubChem CID 75366704) has the molecular formula C19H16FNO4 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
PubChem CID75366704
Molecular FormulaC19H16FNO4
Molecular Weight341.34 g/mol
Exact Mass341.11
IUPAC Name3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one
SMILESO=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCN(CCO)C3
InChIInChI=1S/C19H16FNO4/c20-13-3-1-12(2-4-13)16-10-24-19-14(18(16)23)5-6-17-15(19)9-21(7-8-22)11-25-17/h1-6,10,22H,7-9,11H2
InChIKeyPVPUXBQUJAINQX-UHFFFAOYSA-N
XLogP2.74
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one (CID 75366704) is 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is O=c1c(-c2ccc(F)cc2)coc2c3c(ccc12)OCN(CCO)C3.
What is the InChIKey of 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
The InChIKey is PVPUXBQUJAINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4/c20-13-3-1-12(2-4-13)16-10-24-19-14(18(16)23)5-6-17-15(19)9-21(7-8-22)11-25-17/h1-6,10,22H,7-9,11H2.
What are the key properties of 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one?
3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one has a molecular weight of 341.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-9-(2-hydroxyethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one is sourced from PubChem (CID 75366704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).