2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile

C18H17NO — CID 79130749

IUPAC2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
SMILESCC(O)(c1ccccc1)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C18H17NO/c1-17(20,16-9-3-2-4-10-16)18(13-19)11-14-7-5-6-8-15(14)12-18/h2-10,20H,11-12H2,1H3
InChIKeyJPYGCJZPUXPBLU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.20
Rot. Bonds2

About 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile

2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79130749) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79130749
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile
SMILESCC(O)(c1ccccc1)C1(C#N)Cc2ccccc2C1
InChIInChI=1S/C18H17NO/c1-17(20,16-9-3-2-4-10-16)18(13-19)11-14-7-5-6-8-15(14)12-18/h2-10,20H,11-12H2,1H3
InChIKeyJPYGCJZPUXPBLU-UHFFFAOYSA-N
XLogP3.20
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile (CID 79130749) is 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile is CC(O)(c1ccccc1)C1(C#N)Cc2ccccc2C1.
What is the InChIKey of 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is JPYGCJZPUXPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-17(20,16-9-3-2-4-10-16)18(13-19)11-14-7-5-6-8-15(14)12-18/h2-10,20H,11-12H2,1H3.
What are the key properties of 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-1-phenylethyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79130749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).