3-(2-methoxyphenoxy)pentanenitrile

C12H15NO2 — CID 43367814

IUPAC3-(2-methoxyphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccccc1OC
InChIInChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-7-5-4-6-11(12)14-2/h4-7,10H,3,8H2,1-2H3
InChIKeyYJIUGVRWMPZCBM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.77
Rot. Bonds5

About 3-(2-methoxyphenoxy)pentanenitrile

3-(2-methoxyphenoxy)pentanenitrile (PubChem CID 43367814) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)pentanenitrile.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)pentanenitrile
PubChem CID43367814
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(2-methoxyphenoxy)pentanenitrile
SMILESCCC(CC#N)Oc1ccccc1OC
InChIInChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-7-5-4-6-11(12)14-2/h4-7,10H,3,8H2,1-2H3
InChIKeyYJIUGVRWMPZCBM-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-phenylphenoxy)pentanenitrile
CID 43367670
3-(4-methoxyphenoxy)pentanenitrile
CID 43367830
[(2R)-1-cyanobutan-2-yl] 2-methoxybenzoate
CID 99790575
3-(2,4,5-trichlorophenoxy)pentanenitrile
CID 43175049
3-(2-bromo-4-methylphenoxy)pentanenitrile
CID 43368073
CID 175175444
CID 175175444
3-[2-(2-methoxyphenoxy)ethyl-methylamino]butanenitrile
CID 61361621
3-(3,5-dimethylphenoxy)pentanenitrile
CID 43367769
1,2-di(octan-3-yloxy)benzene
CID 168861859
3-[3-(methylaminomethyl)phenoxy]pentanenitrile
CID 106485978
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
3-(3-ethoxy-4-methoxyphenyl)butanenitrile
CID 135293000

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)pentanenitrile?
The IUPAC name of 3-(2-methoxyphenoxy)pentanenitrile (CID 43367814) is 3-(2-methoxyphenoxy)pentanenitrile.
What is the SMILES notation for 3-(2-methoxyphenoxy)pentanenitrile?
The canonical SMILES for 3-(2-methoxyphenoxy)pentanenitrile is CCC(CC#N)Oc1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenoxy)pentanenitrile?
The InChIKey is YJIUGVRWMPZCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10(8-9-13)15-12-7-5-4-6-11(12)14-2/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 3-(2-methoxyphenoxy)pentanenitrile?
3-(2-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-(2-methoxyphenoxy)pentanenitrile is sourced from PubChem (CID 43367814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).