2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

C22H24FNO3 — CID 91503694

IUPAC2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccc(F)cc2C12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO
InChIInChI=1S/C22H24FNO3/c23-15-9-10-18-17(12-15)22(21(27)24-18)11-5-4-8-16(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t16?,19-,20-,22?/m1/s1
InChIKeyXTLGIBUJKRNNHP-RTMXWXTASA-N
MW369.44 g/mol
LogP3.34
Rot. Bonds4

About 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 91503694) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID91503694
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccc(F)cc2C12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO
InChIInChI=1S/C22H24FNO3/c23-15-9-10-18-17(12-15)22(21(27)24-18)11-5-4-8-16(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t16?,19-,20-,22?/m1/s1
InChIKeyXTLGIBUJKRNNHP-RTMXWXTASA-N
XLogP3.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-fluoro-1H-indol-2-one
CID 162643134
(3E)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-1H-indol-2-one
CID 162663990
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-1H-indol-2-one
CID 162666402
(3Z)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-fluoro-1H-indol-2-one
CID 162668005
(3Z)-3-[2-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-1H-indol-2-one
CID 168284253
(3E)-3-[2-[(1R,3R,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-1H-indol-2-one
CID 168284379
3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-1,3-dihydroindol-2-one
CID 168294751
5-Fluoro-3-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 13616256
3-(3-Hydroxypropyl)indolin-2-one
CID 12244277
(3R)-3-[(1S,2S,3S)-2,3-dihydroxy-1,3-diphenylpropyl]-3-fluoro-1-phenylindol-2-one
CID 134958641
(3S)-3-fluoro-3-(3-hydroxypropyl)-1H-indol-2-one
CID 176438623
5-Fluoro-3-(4-hydroxybutyl)-1,3-dihydroindol-2-one
CID 2771854

Frequently Asked Questions

What is the IUPAC name of 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (CID 91503694) is 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is O=C1Nc2ccc(F)cc2C12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO.
What is the InChIKey of 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is XTLGIBUJKRNNHP-RTMXWXTASA-N. The full InChI is InChI=1S/C22H24FNO3/c23-15-9-10-18-17(12-15)22(21(27)24-18)11-5-4-8-16(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,16,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t16?,19-,20-,22?/m1/s1.
What are the key properties of 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 369.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-5-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 91503694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).