1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one

C18H16FNO4 — CID 164598605

IUPAC1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)cc(F)c2c2ccc(OC3CCOCC3)cc12
InChIInChI=1S/C18H16FNO4/c19-15-7-10(21)8-16-17(15)13-2-1-12(9-14(13)18(22)20-16)24-11-3-5-23-6-4-11/h1-2,7-9,11,21H,3-6H2,(H,20,22)
InChIKeyXMPCYFOTJAGDES-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.08
Rot. Bonds2

About 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one

1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one (PubChem CID 164598605) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one.

Molecular Properties

Compound Name1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one
PubChem CID164598605
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one
SMILESO=c1[nH]c2cc(O)cc(F)c2c2ccc(OC3CCOCC3)cc12
InChIInChI=1S/C18H16FNO4/c19-15-7-10(21)8-16-17(15)13-2-1-12(9-14(13)18(22)20-16)24-11-3-5-23-6-4-11/h1-2,7-9,11,21H,3-6H2,(H,20,22)
InChIKeyXMPCYFOTJAGDES-UHFFFAOYSA-N
XLogP3.08
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598513
1,10-difluoro-3-hydroxy-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598272
3-hydroxy-9-(oxolan-3-yloxy)benzo[c]chromen-6-one
CID 164597973
3-[2-fluoro-4-(oxan-4-yloxy)phenyl]prop-2-yn-1-ol
CID 65203029
2-fluoro-4-(oxolan-3-yloxy)benzaldehyde
CID 142441431
7-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117261529
4-(2,6-difluoro-4-isocyanatophenoxy)oxane
CID 169354891
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
3-(oxan-4-yloxy)benzoic acid
CID 23149060
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
3-(dimethylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one;3-(methylamino)-8-(oxan-4-yloxy)benzo[c]chromen-6-one
CID 164598391
2-chloro-3-hydroxy-8-[(3S)-oxolan-3-yl]oxybenzo[c]chromen-6-one
CID 164598650

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one?
The IUPAC name of 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one (CID 164598605) is 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one.
What is the SMILES notation for 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one?
The canonical SMILES for 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one is O=c1[nH]c2cc(O)cc(F)c2c2ccc(OC3CCOCC3)cc12.
What is the InChIKey of 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one?
The InChIKey is XMPCYFOTJAGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c19-15-7-10(21)8-16-17(15)13-2-1-12(9-14(13)18(22)20-16)24-11-3-5-23-6-4-11/h1-2,7-9,11,21H,3-6H2,(H,20,22).
What are the key properties of 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one?
1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one has a molecular weight of 329.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hydroxy-8-(oxan-4-yloxy)-5H-phenanthridin-6-one is sourced from PubChem (CID 164598605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).