2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile

C16H15N — CID 82107009

IUPAC2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
SMILESCc1ccc(-c2ccccc2CC#N)cc1C
InChIInChI=1S/C16H15N/c1-12-7-8-15(11-13(12)2)16-6-4-3-5-14(16)9-10-17/h3-8,11H,9H2,1-2H3
InChIKeyCUPIBUPGTUCJOB-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.04
Rot. Bonds2

About 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile

2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile (PubChem CID 82107009) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
PubChem CID82107009
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile
SMILESCc1ccc(-c2ccccc2CC#N)cc1C
InChIInChI=1S/C16H15N/c1-12-7-8-15(11-13(12)2)16-6-4-3-5-14(16)9-10-17/h3-8,11H,9H2,1-2H3
InChIKeyCUPIBUPGTUCJOB-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,4-dimethylphenyl)phenyl]acetic acid
CID 82107017
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914
2-[[2-(3,4-dimethylphenyl)phenyl]methylamino]acetamide
CID 19105302
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
2-(3,4-dimethylphenyl)aniline;hydrochloride
CID 2758548
2-(3,4-dimethylphenyl)-6-fluorobenzonitrile
CID 114898513
2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
CID 117001881
2-[2-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)phenyl]acetonitrile
CID 23509611
3-(3,4-dimethylphenyl)-N,2-dimethylaniline
CID 123724785
4-[2-(chloromethyl)phenyl]-1-methoxy-2-methylbenzene
CID 126696020
ethane;2-(5-fluoro-2-methylphenyl)acetonitrile
CID 177006757
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile (CID 82107009) is 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile is Cc1ccc(-c2ccccc2CC#N)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile?
The InChIKey is CUPIBUPGTUCJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-7-8-15(11-13(12)2)16-6-4-3-5-14(16)9-10-17/h3-8,11H,9H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile?
2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile has a molecular weight of 221.30 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)phenyl]acetonitrile is sourced from PubChem (CID 82107009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).