3-(4-methoxyphenoxy)pentanenitrile

C12H15NO2 — CID 43367830

IUPAC3-(4-methoxyphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccc(OC)cc1
InChIInChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-6-4-11(14-2)5-7-12/h4-7,10H,3,8H2,1-2H3
InChIKeyVMJKZJHWOQYHKT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.77
Rot. Bonds5

About 3-(4-methoxyphenoxy)pentanenitrile

3-(4-methoxyphenoxy)pentanenitrile (PubChem CID 43367830) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)pentanenitrile.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)pentanenitrile
PubChem CID43367830
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(4-methoxyphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccc(OC)cc1
InChIInChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-6-4-11(14-2)5-7-12/h4-7,10H,3,8H2,1-2H3
InChIKeyVMJKZJHWOQYHKT-UHFFFAOYSA-N
XLogP2.77
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)pentanenitrile
CID 43367814
3-(3,5-dimethylphenoxy)pentanenitrile
CID 43367769
3-(1,3-benzodioxol-5-yloxy)pentanenitrile
CID 43368057
3-[3-(methylaminomethyl)phenoxy]pentanenitrile
CID 106485978
N-(1-cyanobutan-2-yl)-4-methoxybenzenesulfonamide
CID 62647776
3-(2,4,5-trichlorophenoxy)pentanenitrile
CID 43175049
4-hydroxy-4-(4-methoxyphenyl)-3-methylbutanenitrile
CID 82112748
ethane;4-hexan-3-yloxybenzonitrile
CID 143097609
3-(2-bromo-4-methylphenoxy)pentanenitrile
CID 43368073
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
2-(ethylamino)-4-(4-methoxyphenoxy)-2-methylpentanenitrile
CID 64727805
4-[1-(4-methoxyphenyl)ethoxy]benzonitrile
CID 117052702

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)pentanenitrile?
The IUPAC name of 3-(4-methoxyphenoxy)pentanenitrile (CID 43367830) is 3-(4-methoxyphenoxy)pentanenitrile.
What is the SMILES notation for 3-(4-methoxyphenoxy)pentanenitrile?
The canonical SMILES for 3-(4-methoxyphenoxy)pentanenitrile is CCC(CC#N)Oc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)pentanenitrile?
The InChIKey is VMJKZJHWOQYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-6-4-11(14-2)5-7-12/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 3-(4-methoxyphenoxy)pentanenitrile?
3-(4-methoxyphenoxy)pentanenitrile has a molecular weight of 205.26 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenoxy)pentanenitrile is sourced from PubChem (CID 43367830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).