4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile

C14H11NO2 — CID 125469519

IUPAC4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO2/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8,14,16-17H/t14-/m1/s1
InChIKeyZWHQRWAWEWSVBS-CQSZACIVSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds2

About 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile

4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile (PubChem CID 125469519) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
PubChem CID125469519
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
SMILESN#Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H11NO2/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8,14,16-17H/t14-/m1/s1
InChIKeyZWHQRWAWEWSVBS-CQSZACIVSA-N
XLogP2.35
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-hydroxybenzonitrile
CID 53435365
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[(1R,2S)-2-(4-cyanophenyl)-1,2-dihydroxyethyl]benzonitrile
CID 10912374
4-[hydroxy-(3-hydroxy-4-oxopyran-2-yl)methyl]benzonitrile
CID 21474401
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
CID 43826622
4-[(4-bromophenyl)-hydroxymethyl]phenol
CID 146871813
4-(1-hydroxy-3-methylbut-2-enyl)benzonitrile
CID 115480929
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
CID 67741603

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile?
The IUPAC name of 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile (CID 125469519) is 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile.
What is the SMILES notation for 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile?
The canonical SMILES for 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile is N#Cc1ccc([C@@H](O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile?
The InChIKey is ZWHQRWAWEWSVBS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H11NO2/c15-9-10-1-3-11(4-2-10)14(17)12-5-7-13(16)8-6-12/h1-8,14,16-17H/t14-/m1/s1.
What are the key properties of 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile?
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile is sourced from PubChem (CID 125469519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).