2-[2-(4-methoxyphenyl)ethyl]benzonitrile

C16H15NO — CID 70516707

IUPAC2-[2-(4-methoxyphenyl)ethyl]benzonitrile
SMILESCOc1ccc(CCc2ccccc2C#N)cc1
InChIInChI=1S/C16H15NO/c1-18-16-10-7-13(8-11-16)6-9-14-4-2-3-5-15(14)12-17/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyGBHJSIPHZJUCIE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]benzonitrile

2-[2-(4-methoxyphenyl)ethyl]benzonitrile (PubChem CID 70516707) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]benzonitrile
PubChem CID70516707
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]benzonitrile
SMILESCOc1ccc(CCc2ccccc2C#N)cc1
InChIInChI=1S/C16H15NO/c1-18-16-10-7-13(8-11-16)6-9-14-4-2-3-5-15(14)12-17/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyGBHJSIPHZJUCIE-UHFFFAOYSA-N
XLogP3.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 9070503
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
CID 21257477
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2-[[5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 16564707
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzonitrile;3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 144675527
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
CID 166316434
2-(2-ethoxyethyl)benzonitrile
CID 134604790
2-[2-[2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419198
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]benzonitrile?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]benzonitrile (CID 70516707) is 2-[2-(4-methoxyphenyl)ethyl]benzonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]benzonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]benzonitrile is COc1ccc(CCc2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]benzonitrile?
The InChIKey is GBHJSIPHZJUCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-18-16-10-7-13(8-11-16)6-9-14-4-2-3-5-15(14)12-17/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]benzonitrile?
2-[2-(4-methoxyphenyl)ethyl]benzonitrile has a molecular weight of 237.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]benzonitrile is sourced from PubChem (CID 70516707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).