5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile

C19H16N2O2 — CID 156877362

IUPAC5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile
SMILESN#Cc1c(C2CCCO2)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C19H16N2O2/c20-12-16-15-11-14(22)8-9-17(15)21(13-5-2-1-3-6-13)19(16)18-7-4-10-23-18/h1-3,5-6,8-9,11,18,22H,4,7,10H2
InChIKeyJJFNTSCYSCGFLB-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.06
Rot. Bonds2

About 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile

5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile (PubChem CID 156877362) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile
PubChem CID156877362
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile
SMILESN#Cc1c(C2CCCO2)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C19H16N2O2/c20-12-16-15-11-14(22)8-9-17(15)21(13-5-2-1-3-6-13)19(16)18-7-4-10-23-18/h1-3,5-6,8-9,11,18,22H,4,7,10H2
InChIKeyJJFNTSCYSCGFLB-UHFFFAOYSA-N
XLogP4.06
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877232
4-[5-hydroxy-2-(oxan-4-yl)-1-phenylindol-3-yl]cyclohexane-1-carboxylic acid
CID 156877604
ethyl 1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-[(2R)-oxolan-2-yl]indole-3-carboxylate
CID 156877201
2-amino-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877289
2-tert-butyl-1-(4-fluorophenyl)-5-hydroxyindole-3-carbonitrile
CID 156877416
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
3,5-diphenyl-4,6-bis(9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 137368622
9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
CID 142356795
1-(4-chlorophenyl)-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82200758
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile?
The IUPAC name of 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile (CID 156877362) is 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile?
The canonical SMILES for 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile is N#Cc1c(C2CCCO2)n(-c2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile?
The InChIKey is JJFNTSCYSCGFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c20-12-16-15-11-14(22)8-9-17(15)21(13-5-2-1-3-6-13)19(16)18-7-4-10-23-18/h1-3,5-6,8-9,11,18,22H,4,7,10H2.
What are the key properties of 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile?
5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(oxolan-2-yl)-1-phenylindole-3-carbonitrile is sourced from PubChem (CID 156877362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).