3-(4-ethylphenyl)-5-hydroxybenzonitrile

C15H13NO — CID 53219864

IUPAC3-(4-ethylphenyl)-5-hydroxybenzonitrile
SMILESCCc1ccc(-c2cc(O)cc(C#N)c2)cc1
InChIInChI=1S/C15H13NO/c1-2-11-3-5-13(6-4-11)14-7-12(10-16)8-15(17)9-14/h3-9,17H,2H2,1H3
InChIKeyLFZOUNKSGKFDOM-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.49
Rot. Bonds2

About 3-(4-ethylphenyl)-5-hydroxybenzonitrile

3-(4-ethylphenyl)-5-hydroxybenzonitrile (PubChem CID 53219864) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-hydroxybenzonitrile
PubChem CID53219864
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name3-(4-ethylphenyl)-5-hydroxybenzonitrile
SMILESCCc1ccc(-c2cc(O)cc(C#N)c2)cc1
InChIInChI=1S/C15H13NO/c1-2-11-3-5-13(6-4-11)14-7-12(10-16)8-15(17)9-14/h3-9,17H,2H2,1H3
InChIKeyLFZOUNKSGKFDOM-UHFFFAOYSA-N
XLogP3.49
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-hydroxybenzonitrile?
The IUPAC name of 3-(4-ethylphenyl)-5-hydroxybenzonitrile (CID 53219864) is 3-(4-ethylphenyl)-5-hydroxybenzonitrile.
What is the SMILES notation for 3-(4-ethylphenyl)-5-hydroxybenzonitrile?
The canonical SMILES for 3-(4-ethylphenyl)-5-hydroxybenzonitrile is CCc1ccc(-c2cc(O)cc(C#N)c2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-hydroxybenzonitrile?
The InChIKey is LFZOUNKSGKFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-11-3-5-13(6-4-11)14-7-12(10-16)8-15(17)9-14/h3-9,17H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-5-hydroxybenzonitrile?
3-(4-ethylphenyl)-5-hydroxybenzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-hydroxybenzonitrile is sourced from PubChem (CID 53219864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).