4-(2-ethoxy-5-methylphenyl)pentanenitrile

C14H19NO — CID 83933673

IUPAC4-(2-ethoxy-5-methylphenyl)pentanenitrile
SMILESCCOc1ccc(C)cc1C(C)CCC#N
InChIInChI=1S/C14H19NO/c1-4-16-14-8-7-11(2)10-13(14)12(3)6-5-9-15/h7-8,10,12H,4-6H2,1-3H3
InChIKeyCXLQMPWNBVLALB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.80
Rot. Bonds5

About 4-(2-ethoxy-5-methylphenyl)pentanenitrile

4-(2-ethoxy-5-methylphenyl)pentanenitrile (PubChem CID 83933673) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)pentanenitrile.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)pentanenitrile
PubChem CID83933673
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2-ethoxy-5-methylphenyl)pentanenitrile
SMILESCCOc1ccc(C)cc1C(C)CCC#N
InChIInChI=1S/C14H19NO/c1-4-16-14-8-7-11(2)10-13(14)12(3)6-5-9-15/h7-8,10,12H,4-6H2,1-3H3
InChIKeyCXLQMPWNBVLALB-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-diethoxyphenyl)pentanenitrile
CID 83942836
2-(4-chlorobutan-2-yl)-1-ethoxy-4-methylbenzene
CID 83933609
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
4-amino-4-(2-methoxy-5-methylphenyl)butanenitrile
CID 116939962
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
5-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]pentanenitrile
CID 54966103
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
4-(4-ethoxy-2-ethylphenyl)pentanenitrile
CID 83941706
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
3-(5-chloro-2-ethoxyphenyl)butyl thiocyanate
CID 112718719

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)pentanenitrile?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)pentanenitrile (CID 83933673) is 4-(2-ethoxy-5-methylphenyl)pentanenitrile.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)pentanenitrile?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)pentanenitrile is CCOc1ccc(C)cc1C(C)CCC#N.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)pentanenitrile?
The InChIKey is CXLQMPWNBVLALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-16-14-8-7-11(2)10-13(14)12(3)6-5-9-15/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 4-(2-ethoxy-5-methylphenyl)pentanenitrile?
4-(2-ethoxy-5-methylphenyl)pentanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)pentanenitrile is sourced from PubChem (CID 83933673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).