1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile

C18H15FN2O — CID 156877245

IUPAC1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile
SMILESCCC(O)c1c(C#N)c2ccccc2n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c1-2-17(22)18-15(11-20)14-5-3-4-6-16(14)21(18)13-9-7-12(19)8-10-13/h3-10,17,22H,2H2,1H3
InChIKeyJOZTUXZKBYKHFH-UHFFFAOYSA-N
MW294.33 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile

1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile (PubChem CID 156877245) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile
PubChem CID156877245
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile
SMILESCCC(O)c1c(C#N)c2ccccc2n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O/c1-2-17(22)18-15(11-20)14-5-3-4-6-16(14)21(18)13-9-7-12(19)8-10-13/h3-10,17,22H,2H2,1H3
InChIKeyJOZTUXZKBYKHFH-UHFFFAOYSA-N
XLogP4.08
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile (CID 156877245) is 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile is CCC(O)c1c(C#N)c2ccccc2n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile?
The InChIKey is JOZTUXZKBYKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c1-2-17(22)18-15(11-20)14-5-3-4-6-16(14)21(18)13-9-7-12(19)8-10-13/h3-10,17,22H,2H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile?
1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile has a molecular weight of 294.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-hydroxypropyl)indole-3-carbonitrile is sourced from PubChem (CID 156877245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).