3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile

C20H15NO2 — CID 53220231

IUPAC3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1cc(O)cc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H15NO2/c21-13-16-10-17(12-18(22)11-16)19-8-4-5-9-20(19)23-14-15-6-2-1-3-7-15/h1-12,22H,14H2
InChIKeyBGEWFSKZWSKSSN-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.51
Rot. Bonds4

About 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile

3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile (PubChem CID 53220231) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile.

Molecular Properties

Compound Name3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile
PubChem CID53220231
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile
SMILESN#Cc1cc(O)cc(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C20H15NO2/c21-13-16-10-17(12-18(22)11-16)19-8-4-5-9-20(19)23-14-15-6-2-1-3-7-15/h1-12,22H,14H2
InChIKeyBGEWFSKZWSKSSN-UHFFFAOYSA-N
XLogP4.51
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857
1-bromo-3-ethynyl-5-(2-phenylmethoxyphenyl)benzene
CID 166643085
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
CID 135026155
3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
CID 53219944
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-(2-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 39826155
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
CID 169493439
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile?
The IUPAC name of 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile (CID 53220231) is 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile.
What is the SMILES notation for 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile?
The canonical SMILES for 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile is N#Cc1cc(O)cc(-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile?
The InChIKey is BGEWFSKZWSKSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c21-13-16-10-17(12-18(22)11-16)19-8-4-5-9-20(19)23-14-15-6-2-1-3-7-15/h1-12,22H,14H2.
What are the key properties of 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile?
3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile has a molecular weight of 301.35 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2-phenylmethoxyphenyl)benzonitrile is sourced from PubChem (CID 53220231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).