4-[(1R)-1-phenylethyl]benzonitrile

C15H13N — CID 118361850

IUPAC4-[(1R)-1-phenylethyl]benzonitrile
SMILESC[C@H](c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10,12H,1H3/t12-/m1/s1
InChIKeyRQJHSPYBAJFYIL-GFCCVEGCSA-N
MW207.28 g/mol
LogP3.71
Rot. Bonds2

About 4-[(1R)-1-phenylethyl]benzonitrile

4-[(1R)-1-phenylethyl]benzonitrile (PubChem CID 118361850) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-[(1R)-1-phenylethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-phenylethyl]benzonitrile
PubChem CID118361850
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name4-[(1R)-1-phenylethyl]benzonitrile
SMILESC[C@H](c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C15H13N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10,12H,1H3/t12-/m1/s1
InChIKeyRQJHSPYBAJFYIL-GFCCVEGCSA-N
XLogP3.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
CID 143144069
3-[(1S)-1-phenylethyl]benzonitrile
CID 118361851
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
4-(1,2-dibromo-2-phenylethyl)benzonitrile
CID 13431601
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
4-[(3R)-3-phenylbut-1-ynyl]benzonitrile
CID 138911176
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-phenylethyl]urea
CID 38288341
4-[amino-[[amino(phenyl)methyl]amino]methyl]benzonitrile
CID 155017019
4-(1,2-diphenylethyl)benzonitrile
CID 10039481

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-phenylethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-phenylethyl]benzonitrile (CID 118361850) is 4-[(1R)-1-phenylethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-phenylethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-phenylethyl]benzonitrile is C[C@H](c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(1R)-1-phenylethyl]benzonitrile?
The InChIKey is RQJHSPYBAJFYIL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13N/c1-12(14-5-3-2-4-6-14)15-9-7-13(11-16)8-10-15/h2-10,12H,1H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-phenylethyl]benzonitrile?
4-[(1R)-1-phenylethyl]benzonitrile has a molecular weight of 207.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-phenylethyl]benzonitrile is sourced from PubChem (CID 118361850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).