2-(3-methoxyphenoxy)acetonitrile

C9H9NO2 — CID 11041031

IUPAC2-(3-methoxyphenoxy)acetonitrile
SMILESCOc1cccc(OCC#N)c1
InChIInChI=1S/C9H9NO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3
InChIKeyCWHPWCXSEGCGHL-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-methoxyphenoxy)acetonitrile

2-(3-methoxyphenoxy)acetonitrile (PubChem CID 11041031) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)acetonitrile
PubChem CID11041031
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-(3-methoxyphenoxy)acetonitrile
SMILESCOc1cccc(OCC#N)c1
InChIInChI=1S/C9H9NO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3
InChIKeyCWHPWCXSEGCGHL-UHFFFAOYSA-N
XLogP1.60
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[(3-methoxyphenyl)methylamino]methyl]phenoxy]acetonitrile
CID 60874118
1-but-2-ynoxy-3-methoxybenzene
CID 12759697
3-hydroxy-4-(3-methoxyphenoxy)butanenitrile
CID 13010437
1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
N-[4-(cyanomethoxy)phenyl]-2-(3-methoxyphenyl)acetamide
CID 30874438
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)acetonitrile?
The IUPAC name of 2-(3-methoxyphenoxy)acetonitrile (CID 11041031) is 2-(3-methoxyphenoxy)acetonitrile.
What is the SMILES notation for 2-(3-methoxyphenoxy)acetonitrile?
The canonical SMILES for 2-(3-methoxyphenoxy)acetonitrile is COc1cccc(OCC#N)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)acetonitrile?
The InChIKey is CWHPWCXSEGCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7H,6H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)acetonitrile?
2-(3-methoxyphenoxy)acetonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)acetonitrile is sourced from PubChem (CID 11041031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).