4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile

C22H15NO2 — CID 14146266

IUPAC4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile
SMILESN#Cc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H15NO2/c23-13-14-1-3-15(4-2-14)21-12-17-11-19(25)9-10-20(17)22(21)16-5-7-18(24)8-6-16/h1-11,24-25H,12H2
InChIKeySNNGUJCURSLZOL-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.48
Rot. Bonds2

About 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile

4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile (PubChem CID 14146266) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile
PubChem CID14146266
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile
SMILESN#Cc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H15NO2/c23-13-14-1-3-15(4-2-14)21-12-17-11-19(25)9-10-20(17)22(21)16-5-7-18(24)8-6-16/h1-11,24-25H,12H2
InChIKeySNNGUJCURSLZOL-UHFFFAOYSA-N
XLogP4.48
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile?
The IUPAC name of 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile (CID 14146266) is 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile?
The canonical SMILES for 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile is N#Cc1ccc(C2=C(c3ccc(O)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile?
The InChIKey is SNNGUJCURSLZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c23-13-14-1-3-15(4-2-14)21-12-17-11-19(25)9-10-20(17)22(21)16-5-7-18(24)8-6-16/h1-11,24-25H,12H2.
What are the key properties of 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile?
4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile has a molecular weight of 325.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-hydroxy-3-(4-hydroxyphenyl)-1H-inden-2-yl]benzonitrile is sourced from PubChem (CID 14146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).