3-hydroxy-5-(3-methylphenyl)benzonitrile

C14H11NO — CID 53219821

IUPAC3-hydroxy-5-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2cc(O)cc(C#N)c2)c1
InChIInChI=1S/C14H11NO/c1-10-3-2-4-12(5-10)13-6-11(9-15)7-14(16)8-13/h2-8,16H,1H3
InChIKeyPHRUCULUPFVIFO-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds1

About 3-hydroxy-5-(3-methylphenyl)benzonitrile

3-hydroxy-5-(3-methylphenyl)benzonitrile (PubChem CID 53219821) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-5-(3-methylphenyl)benzonitrile.

Molecular Properties

Compound Name3-hydroxy-5-(3-methylphenyl)benzonitrile
PubChem CID53219821
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-hydroxy-5-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2cc(O)cc(C#N)c2)c1
InChIInChI=1S/C14H11NO/c1-10-3-2-4-12(5-10)13-6-11(9-15)7-14(16)8-13/h2-8,16H,1H3
InChIKeyPHRUCULUPFVIFO-UHFFFAOYSA-N
XLogP3.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-hydroxy-5-methylphenyl)benzonitrile
CID 53218798
3-hydroxy-5-(3-methylsulfanylphenyl)benzonitrile
CID 53219995
ethane;3-hydroxy-5-(9-methyltriphenylen-2-yl)benzonitrile
CID 145448475
2-hydroxy-5-(3-methylphenyl)benzonitrile
CID 53219819
3-(4-fluorophenyl)-5-hydroxybenzonitrile
CID 53219839
3-(4-ethylphenyl)-5-hydroxybenzonitrile
CID 53219864
3-(3-hydroxy-4-methylphenyl)benzonitrile
CID 53218797
3-(2,3-difluorophenyl)-5-hydroxybenzonitrile
CID 53219944
3,5-dimethyl-4-(3-methylphenyl)phenol
CID 101298795
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
3-chloro-4-(3-methylphenyl)benzonitrile
CID 172914817

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(3-methylphenyl)benzonitrile?
The IUPAC name of 3-hydroxy-5-(3-methylphenyl)benzonitrile (CID 53219821) is 3-hydroxy-5-(3-methylphenyl)benzonitrile.
What is the SMILES notation for 3-hydroxy-5-(3-methylphenyl)benzonitrile?
The canonical SMILES for 3-hydroxy-5-(3-methylphenyl)benzonitrile is Cc1cccc(-c2cc(O)cc(C#N)c2)c1.
What is the InChIKey of 3-hydroxy-5-(3-methylphenyl)benzonitrile?
The InChIKey is PHRUCULUPFVIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-3-2-4-12(5-10)13-6-11(9-15)7-14(16)8-13/h2-8,16H,1H3.
What are the key properties of 3-hydroxy-5-(3-methylphenyl)benzonitrile?
3-hydroxy-5-(3-methylphenyl)benzonitrile has a molecular weight of 209.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(3-methylphenyl)benzonitrile is sourced from PubChem (CID 53219821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).