(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one

C19H16FNO5 — CID 102587281

IUPAC(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one
SMILESCN1C(=O)[C@@](O)([C@]2(c3ccccc3)OCCOC2=O)c2cc(F)ccc21
InChIInChI=1S/C19H16FNO5/c1-21-15-8-7-13(20)11-14(15)18(24,16(21)22)19(12-5-3-2-4-6-12)17(23)25-9-10-26-19/h2-8,11,24H,9-10H2,1H3/t18-,19-/m1/s1
InChIKeyKNDCFVXJJYZXLR-RTBURBONSA-N
MW357.34 g/mol
LogP1.46
Rot. Bonds2

About (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one

(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one (PubChem CID 102587281) has the molecular formula C19H16FNO5 and a molecular weight of 357.34 g/mol. Its IUPAC name is (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one.

Molecular Properties

Compound Name(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one
PubChem CID102587281
Molecular FormulaC19H16FNO5
Molecular Weight357.34 g/mol
Exact Mass357.10
IUPAC Name(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one
SMILESCN1C(=O)[C@@](O)([C@]2(c3ccccc3)OCCOC2=O)c2cc(F)ccc21
InChIInChI=1S/C19H16FNO5/c1-21-15-8-7-13(20)11-14(15)18(24,16(21)22)19(12-5-3-2-4-6-12)17(23)25-9-10-26-19/h2-8,11,24H,9-10H2,1H3/t18-,19-/m1/s1
InChIKeyKNDCFVXJJYZXLR-RTBURBONSA-N
XLogP1.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one with MolForge

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Related Compounds

3-(6,6-Dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-propylindol-2-one
CID 2880249
3-(6,6-Dimethyl-4-oxooxan-3-yl)-3-hydroxy-1-methylindol-2-one
CID 2871812
1-benzyl-3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 655041
3-(6,6-dimethyl-3-oxotetrahydro-2H-pyran-2-yl)-3-hydroxy-1-methyl-1,3-dihydro-2H-indol-2-one
CID 2941584
3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-2-yl)-3-hydroxy-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2946339
1-Benzyl-3-(6,6-dimethyl-4-oxooxan-2-yl)-3-hydroxyindol-2-one
CID 4619762
3-(6,6-dimethyl-4-oxotetrahydro-2H-pyran-3-yl)-3-hydroxy-1-(propan-2-yl)-1,3-dihydro-2H-indol-2-one
CID 3132851
3-(6,6-Dimethyl-4-oxooxan-3-yl)-3-hydroxy-1,5-dimethylindol-2-one
CID 2888291
(1-Benzyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-acetic acid
CID 3148952
3-(6,6-Dimethyl-4-oxooxan-3-yl)-1-ethyl-3-hydroxyindol-2-one
CID 2880236
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[1-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxoindol-3-yl]-2-oxopropyl]oxan-2-yl]methyl acetate
CID 155517359
[(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxoindol-3-yl]-2-oxopropyl]oxan-2-yl]methyl acetate
CID 155551774

Frequently Asked Questions

What is the IUPAC name of (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one?
The IUPAC name of (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one (CID 102587281) is (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one.
What is the SMILES notation for (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one?
The canonical SMILES for (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one is CN1C(=O)[C@@](O)([C@]2(c3ccccc3)OCCOC2=O)c2cc(F)ccc21.
What is the InChIKey of (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one?
The InChIKey is KNDCFVXJJYZXLR-RTBURBONSA-N. The full InChI is InChI=1S/C19H16FNO5/c1-21-15-8-7-13(20)11-14(15)18(24,16(21)22)19(12-5-3-2-4-6-12)17(23)25-9-10-26-19/h2-8,11,24H,9-10H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one?
(3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one has a molecular weight of 357.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-fluoro-3-hydroxy-1-methyl-3-[(2S)-3-oxo-2-phenyl-1,4-dioxan-2-yl]indol-2-one is sourced from PubChem (CID 102587281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).