2-[(4-methoxyphenyl)methyl]hexanenitrile

C14H19NO — CID 132506369

IUPAC2-[(4-methoxyphenyl)methyl]hexanenitrile
SMILESCCCCC(C#N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO/c1-3-4-5-13(11-15)10-12-6-8-14(16-2)9-7-12/h6-9,13H,3-5,10H2,1-2H3
InChIKeyQPIWIBTUZVZKGL-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.57
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]hexanenitrile

2-[(4-methoxyphenyl)methyl]hexanenitrile (PubChem CID 132506369) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]hexanenitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]hexanenitrile
PubChem CID132506369
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(4-methoxyphenyl)methyl]hexanenitrile
SMILESCCCCC(C#N)Cc1ccc(OC)cc1
InChIInChI=1S/C14H19NO/c1-3-4-5-13(11-15)10-12-6-8-14(16-2)9-7-12/h6-9,13H,3-5,10H2,1-2H3
InChIKeyQPIWIBTUZVZKGL-UHFFFAOYSA-N
XLogP3.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methyl]pentanedinitrile
CID 177394761
5,5,5-trifluoro-2-[(4-methoxyphenyl)methyl]pentanenitrile
CID 139985627
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
N-[1-(4-methoxyphenyl)propan-2-yl]hexan-2-amine
CID 62198537
1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
2-[(4-methoxyphenyl)methyl]-N-methylhexan-1-amine
CID 55083396
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]hexanenitrile?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]hexanenitrile (CID 132506369) is 2-[(4-methoxyphenyl)methyl]hexanenitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]hexanenitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]hexanenitrile is CCCCC(C#N)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]hexanenitrile?
The InChIKey is QPIWIBTUZVZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-4-5-13(11-15)10-12-6-8-14(16-2)9-7-12/h6-9,13H,3-5,10H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]hexanenitrile?
2-[(4-methoxyphenyl)methyl]hexanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]hexanenitrile is sourced from PubChem (CID 132506369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).