2-(2-hydroxy-4-methoxyphenoxy)acetonitrile

C9H9NO3 — CID 130057675

IUPAC2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
SMILESCOc1ccc(OCC#N)c(O)c1
InChIInChI=1S/C9H9NO3/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6,11H,5H2,1H3
InChIKeyJHNXPZSQEZDYQU-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.30
Rot. Bonds3

About 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile

2-(2-hydroxy-4-methoxyphenoxy)acetonitrile (PubChem CID 130057675) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
PubChem CID130057675
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
SMILESCOc1ccc(OCC#N)c(O)c1
InChIInChI=1S/C9H9NO3/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6,11H,5H2,1H3
InChIKeyJHNXPZSQEZDYQU-UHFFFAOYSA-N
XLogP1.30
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
CID 60878332
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
2-(3-methoxyphenoxy)acetonitrile
CID 11041031
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
2-[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile
CID 75459133
(4-methoxyphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 18280499
4-(2-hydroxy-5-methoxyphenyl)but-3-enenitrile
CID 170799520
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
ethane;methyl 4-(cyanomethoxy)-3-methoxybenzoate
CID 144796187
2-[4-[7-(cyanomethoxy)-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]acetonitrile
CID 175017796

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile?
The IUPAC name of 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile (CID 130057675) is 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile.
What is the SMILES notation for 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile?
The canonical SMILES for 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile is COc1ccc(OCC#N)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile?
The InChIKey is JHNXPZSQEZDYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-12-7-2-3-9(8(11)6-7)13-5-4-10/h2-3,6,11H,5H2,1H3.
What are the key properties of 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile?
2-(2-hydroxy-4-methoxyphenoxy)acetonitrile has a molecular weight of 179.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxyphenoxy)acetonitrile is sourced from PubChem (CID 130057675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).