3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile

C19H13NO3 — CID 141134076

IUPAC3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(O)c1-c1c(O)cccc1-c1ccccc1O
InChIInChI=1S/C19H13NO3/c20-11-12-5-3-9-16(22)18(12)19-14(7-4-10-17(19)23)13-6-1-2-8-15(13)21/h1-10,21-23H
InChIKeyRNDNHHYVDFKHGU-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.01
Rot. Bonds2

About 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile

3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile (PubChem CID 141134076) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile
PubChem CID141134076
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile
SMILESN#Cc1cccc(O)c1-c1c(O)cccc1-c1ccccc1O
InChIInChI=1S/C19H13NO3/c20-11-12-5-3-9-16(22)18(12)19-14(7-4-10-17(19)23)13-6-1-2-8-15(13)21/h1-10,21-23H
InChIKeyRNDNHHYVDFKHGU-UHFFFAOYSA-N
XLogP4.01
TPSA84.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile?
The IUPAC name of 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile (CID 141134076) is 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile.
What is the SMILES notation for 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile?
The canonical SMILES for 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile is N#Cc1cccc(O)c1-c1c(O)cccc1-c1ccccc1O.
What is the InChIKey of 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile?
The InChIKey is RNDNHHYVDFKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c20-11-12-5-3-9-16(22)18(12)19-14(7-4-10-17(19)23)13-6-1-2-8-15(13)21/h1-10,21-23H.
What are the key properties of 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile?
3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile has a molecular weight of 303.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile is sourced from PubChem (CID 141134076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).