4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile

C19H19NO — CID 114601553

IUPAC4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile
SMILESCC(O)(c1ccc(C#N)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C19H19NO/c1-19(21,16-11-9-14(13-20)10-12-16)18-8-3-2-7-17(18)15-5-4-6-15/h2-3,7-12,15,21H,4-6H2,1H3
InChIKeyLPOPGGQEKAMQON-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.08
Rot. Bonds3

About 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile

4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile (PubChem CID 114601553) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile
PubChem CID114601553
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile
SMILESCC(O)(c1ccc(C#N)cc1)c1ccccc1C1CCC1
InChIInChI=1S/C19H19NO/c1-19(21,16-11-9-14(13-20)10-12-16)18-8-3-2-7-17(18)15-5-4-6-15/h2-3,7-12,15,21H,4-6H2,1H3
InChIKeyLPOPGGQEKAMQON-UHFFFAOYSA-N
XLogP4.08
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile (CID 114601553) is 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile is CC(O)(c1ccc(C#N)cc1)c1ccccc1C1CCC1.
What is the InChIKey of 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile?
The InChIKey is LPOPGGQEKAMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19(21,16-11-9-14(13-20)10-12-16)18-8-3-2-7-17(18)15-5-4-6-15/h2-3,7-12,15,21H,4-6H2,1H3.
What are the key properties of 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile?
4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile has a molecular weight of 277.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-cyclobutylphenyl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 114601553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).