3-(3-hydroxy-4-methylphenyl)benzonitrile

C14H11NO — CID 53218797

IUPAC3-(3-hydroxy-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cccc(C#N)c2)cc1O
InChIInChI=1S/C14H11NO/c1-10-5-6-13(8-14(10)16)12-4-2-3-11(7-12)9-15/h2-8,16H,1H3
InChIKeyKBZFBVLNAFFYCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.24
Rot. Bonds1

About 3-(3-hydroxy-4-methylphenyl)benzonitrile

3-(3-hydroxy-4-methylphenyl)benzonitrile (PubChem CID 53218797) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylphenyl)benzonitrile
PubChem CID53218797
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name3-(3-hydroxy-4-methylphenyl)benzonitrile
SMILESCc1ccc(-c2cccc(C#N)c2)cc1O
InChIInChI=1S/C14H11NO/c1-10-5-6-13(8-14(10)16)12-4-2-3-11(7-12)9-15/h2-8,16H,1H3
InChIKeyKBZFBVLNAFFYCY-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)benzonitrile?
The IUPAC name of 3-(3-hydroxy-4-methylphenyl)benzonitrile (CID 53218797) is 3-(3-hydroxy-4-methylphenyl)benzonitrile.
What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)benzonitrile?
The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)benzonitrile is Cc1ccc(-c2cccc(C#N)c2)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)benzonitrile?
The InChIKey is KBZFBVLNAFFYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-10-5-6-13(8-14(10)16)12-4-2-3-11(7-12)9-15/h2-8,16H,1H3.
What are the key properties of 3-(3-hydroxy-4-methylphenyl)benzonitrile?
3-(3-hydroxy-4-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-(3-hydroxy-4-methylphenyl)benzonitrile is sourced from PubChem (CID 53218797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).