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

C19H19NO — CID 79125856

IUPAC2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(C(O)CCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO/c20-14-19(12-16-8-4-5-9-17(16)13-19)18(21)11-10-15-6-2-1-3-7-15/h1-9,18,21H,10-13H2
InChIKeyAXXDEDICKVAKTF-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.29
Rot. Bonds4

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

2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile (PubChem CID 79125856) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile
PubChem CID79125856
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(C(O)CCc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C19H19NO/c20-14-19(12-16-8-4-5-9-17(16)13-19)18(21)11-10-15-6-2-1-3-7-15/h1-9,18,21H,10-13H2
InChIKeyAXXDEDICKVAKTF-UHFFFAOYSA-N
XLogP3.29
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carbonitrile
CID 79132037
3-(1-hydroxy-3-phenylpropyl)oxolane-3-carbonitrile
CID 79132135
2-(2-cyano-1,3-dihydroinden-2-yl)-2-hydroxyacetic acid
CID 79127328
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
3-phenyl-1-(1-phenylcyclobutyl)propan-1-ol
CID 63078442
2-(hydroxymethyl)-1,3-dihydroindene-2-carbonitrile
CID 79131493
(4R)-4-hydroxy-6-phenylhexanenitrile
CID 15648925
1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol
CID 11746205
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
3-(1-hydroxy-3-methylbutyl)-2,4-dihydrochromene-3-carbonitrile
CID 79133030
1-(1-hydroxy-2-phenylethyl)-4-methylcyclohexane-1-carbonitrile
CID 79131917

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile (CID 79125856) is 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile is N#CC1(C(O)CCc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile?
The InChIKey is AXXDEDICKVAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c20-14-19(12-16-8-4-5-9-17(16)13-19)18(21)11-10-15-6-2-1-3-7-15/h1-9,18,21H,10-13H2.
What are the key properties of 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile?
2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-phenylpropyl)-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 79125856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).