5-(1-hydroxyethyl)-2-phenylbenzonitrile

C15H13NO — CID 67456846

IUPAC5-(1-hydroxyethyl)-2-phenylbenzonitrile
SMILESCC(O)c1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C15H13NO/c1-11(17)13-7-8-15(14(9-13)10-16)12-5-3-2-4-6-12/h2-9,11,17H,1H3
InChIKeyUWKJOHDDLXGLKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.28
Rot. Bonds2

About 5-(1-hydroxyethyl)-2-phenylbenzonitrile

5-(1-hydroxyethyl)-2-phenylbenzonitrile (PubChem CID 67456846) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-2-phenylbenzonitrile.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-2-phenylbenzonitrile
PubChem CID67456846
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name5-(1-hydroxyethyl)-2-phenylbenzonitrile
SMILESCC(O)c1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C15H13NO/c1-11(17)13-7-8-15(14(9-13)10-16)12-5-3-2-4-6-12/h2-9,11,17H,1H3
InChIKeyUWKJOHDDLXGLKG-UHFFFAOYSA-N
XLogP3.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-2-phenylbenzonitrile?
The IUPAC name of 5-(1-hydroxyethyl)-2-phenylbenzonitrile (CID 67456846) is 5-(1-hydroxyethyl)-2-phenylbenzonitrile.
What is the SMILES notation for 5-(1-hydroxyethyl)-2-phenylbenzonitrile?
The canonical SMILES for 5-(1-hydroxyethyl)-2-phenylbenzonitrile is CC(O)c1ccc(-c2ccccc2)c(C#N)c1.
What is the InChIKey of 5-(1-hydroxyethyl)-2-phenylbenzonitrile?
The InChIKey is UWKJOHDDLXGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11(17)13-7-8-15(14(9-13)10-16)12-5-3-2-4-6-12/h2-9,11,17H,1H3.
What are the key properties of 5-(1-hydroxyethyl)-2-phenylbenzonitrile?
5-(1-hydroxyethyl)-2-phenylbenzonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-2-phenylbenzonitrile is sourced from PubChem (CID 67456846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).