4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile

C16H15N — CID 143144069

IUPAC4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
SMILESCc1ccc([C@@H](C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N/c1-12-3-7-15(8-4-12)13(2)16-9-5-14(11-17)6-10-16/h3-10,13H,1-2H3/t13-/m1/s1
InChIKeyHDCUNRGQJNDSCY-CYBMUJFWSA-N
MW221.30 g/mol
LogP4.02
Rot. Bonds2

About 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile

4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile (PubChem CID 143144069) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
PubChem CID143144069
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile
SMILESCc1ccc([C@@H](C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15N/c1-12-3-7-15(8-4-12)13(2)16-9-5-14(11-17)6-10-16/h3-10,13H,1-2H3/t13-/m1/s1
InChIKeyHDCUNRGQJNDSCY-CYBMUJFWSA-N
XLogP4.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2S,4R)-4-(4-methylphenyl)pentan-2-yl]benzonitrile
CID 71129166
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
4-[1-(4-chlorophenyl)ethyl]benzonitrile
CID 77428758
4-(1-aminoethyl)benzonitrile
CID 11544790
4-[(2R)-3-methylbutan-2-yl]benzonitrile
CID 89060357
4-[(1S,3S)-3-chloro-1-hydroxy-3-(4-methylphenyl)propyl]benzonitrile
CID 101391113
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile;ethane
CID 143811392
4-(2,4-dihydroxypentan-3-yl)benzonitrile;iron
CID 169008870

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile?
The IUPAC name of 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile (CID 143144069) is 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile.
What is the SMILES notation for 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile?
The canonical SMILES for 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile is Cc1ccc([C@@H](C)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile?
The InChIKey is HDCUNRGQJNDSCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15N/c1-12-3-7-15(8-4-12)13(2)16-9-5-14(11-17)6-10-16/h3-10,13H,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile?
4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile has a molecular weight of 221.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-methylphenyl)ethyl]benzonitrile is sourced from PubChem (CID 143144069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).