(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol

C22H24FNO — CID 91224466

IUPAC(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol
SMILESOCC[C@H](c1cccc(F)c1)C1CCCCC12C=Nc1ccccc12
InChIInChI=1S/C22H24FNO/c23-17-7-5-6-16(14-17)18(11-13-25)19-8-3-4-12-22(19)15-24-21-10-2-1-9-20(21)22/h1-2,5-7,9-10,14-15,18-19,25H,3-4,8,11-13H2/t18-,19?,22?/m1/s1
InChIKeyWRQUSOSVWXPDPB-FLPIEVNYSA-N
MW337.44 g/mol
LogP5.14
Rot. Bonds4

About (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol

(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol (PubChem CID 91224466) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol.

Molecular Properties

Compound Name(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol
PubChem CID91224466
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol
SMILESOCC[C@H](c1cccc(F)c1)C1CCCCC12C=Nc1ccccc12
InChIInChI=1S/C22H24FNO/c23-17-7-5-6-16(14-17)18(11-13-25)19-8-3-4-12-22(19)15-24-21-10-2-1-9-20(21)22/h1-2,5-7,9-10,14-15,18-19,25H,3-4,8,11-13H2/t18-,19?,22?/m1/s1
InChIKeyWRQUSOSVWXPDPB-FLPIEVNYSA-N
XLogP5.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol with MolForge

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Related Compounds

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3-(3,4-Difluorophenyl)spiro[cyclohexane-1,3'-indole]
CID 141080331
3-(3-Fluorophenyl)spiro[cyclohexane-1,3'-indole]
CID 151120083
3-(3,5-Difluorophenyl)spiro[cyclohexane-1,3'-indole]
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4-[1-[2-(Ethylideneamino)-5-fluorophenyl]ethenyl]cyclohexan-1-ol
CID 156577077
2-[3-[(4-Fluoro-2-methylphenyl)iminomethyl]phenyl]-2-methylpropan-1-ol
CID 174247274
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CID 122208052
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CID 129740452

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol?
The IUPAC name of (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol (CID 91224466) is (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol.
What is the SMILES notation for (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol?
The canonical SMILES for (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol is OCC[C@H](c1cccc(F)c1)C1CCCCC12C=Nc1ccccc12.
What is the InChIKey of (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol?
The InChIKey is WRQUSOSVWXPDPB-FLPIEVNYSA-N. The full InChI is InChI=1S/C22H24FNO/c23-17-7-5-6-16(14-17)18(11-13-25)19-8-3-4-12-22(19)15-24-21-10-2-1-9-20(21)22/h1-2,5-7,9-10,14-15,18-19,25H,3-4,8,11-13H2/t18-,19?,22?/m1/s1.
What are the key properties of (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol?
(3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol has a molecular weight of 337.44 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluorophenyl)-3-spiro[cyclohexane-2,3'-indole]-1-ylpropan-1-ol is sourced from PubChem (CID 91224466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).