(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

C22H24FNO3 — CID 69158869

IUPAC(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(F)ccc2[C@]12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO
InChIInChI=1S/C22H24FNO3/c23-15-9-10-16-18(12-15)24-21(27)22(16)11-5-4-8-17(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t17?,19-,20-,22+/m1/s1
InChIKeyZLDRANUWAOTXDR-BENZRLSVSA-N
MW369.44 g/mol
LogP3.34
Rot. Bonds4

About (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 69158869) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID69158869
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(F)ccc2[C@]12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO
InChIInChI=1S/C22H24FNO3/c23-15-9-10-16-18(12-15)24-21(27)22(16)11-5-4-8-17(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t17?,19-,20-,22+/m1/s1
InChIKeyZLDRANUWAOTXDR-BENZRLSVSA-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 (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-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

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (CID 69158869) is (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is O=C1Nc2cc(F)ccc2[C@]12CCCCC2[C@@H](c1ccccc1)[C@H](O)CO.
What is the InChIKey of (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is ZLDRANUWAOTXDR-BENZRLSVSA-N. The full InChI is InChI=1S/C22H24FNO3/c23-15-9-10-16-18(12-15)24-21(27)22(16)11-5-4-8-17(22)20(19(26)13-25)14-6-2-1-3-7-14/h1-3,6-7,9-10,12,17,19-20,25-26H,4-5,8,11,13H2,(H,24,27)/t17?,19-,20-,22+/m1/s1.
What are the key properties of (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
(3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-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 (3R)-2'-[(1S,2S)-2,3-dihydroxy-1-phenylpropyl]-6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 69158869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).