4-(2,5-diethoxyphenyl)pentanenitrile

C15H21NO2 — CID 83942836

IUPAC4-(2,5-diethoxyphenyl)pentanenitrile
SMILESCCOc1ccc(OCC)c(C(C)CCC#N)c1
InChIInChI=1S/C15H21NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7H2,1-3H3
InChIKeyFPPFNHISRAXJHB-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.89
Rot. Bonds7

About 4-(2,5-diethoxyphenyl)pentanenitrile

4-(2,5-diethoxyphenyl)pentanenitrile (PubChem CID 83942836) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,5-diethoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name4-(2,5-diethoxyphenyl)pentanenitrile
PubChem CID83942836
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-(2,5-diethoxyphenyl)pentanenitrile
SMILESCCOc1ccc(OCC)c(C(C)CCC#N)c1
InChIInChI=1S/C15H21NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7H2,1-3H3
InChIKeyFPPFNHISRAXJHB-UHFFFAOYSA-N
XLogP3.89
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxy-5-methylphenyl)pentanenitrile
CID 83933673
4-(4-ethoxy-2-ethylphenyl)pentanenitrile
CID 83941706
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
2-(4-chlorobutan-2-yl)-1,4-diethoxybenzene
CID 83942775
3-(2,5-diethoxyphenyl)butane-1-thiol
CID 83942774
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
4-amino-4-(4-ethoxyphenyl)butanenitrile
CID 116939991
(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanenitrile
CID 83934695

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethoxyphenyl)pentanenitrile?
The IUPAC name of 4-(2,5-diethoxyphenyl)pentanenitrile (CID 83942836) is 4-(2,5-diethoxyphenyl)pentanenitrile.
What is the SMILES notation for 4-(2,5-diethoxyphenyl)pentanenitrile?
The canonical SMILES for 4-(2,5-diethoxyphenyl)pentanenitrile is CCOc1ccc(OCC)c(C(C)CCC#N)c1.
What is the InChIKey of 4-(2,5-diethoxyphenyl)pentanenitrile?
The InChIKey is FPPFNHISRAXJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-17-13-8-9-15(18-5-2)14(11-13)12(3)7-6-10-16/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of 4-(2,5-diethoxyphenyl)pentanenitrile?
4-(2,5-diethoxyphenyl)pentanenitrile has a molecular weight of 247.34 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethoxyphenyl)pentanenitrile is sourced from PubChem (CID 83942836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).