2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile

C11H11NO2 — CID 79335466

IUPAC2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1C=CCO
InChIInChI=1S/C11H11NO2/c12-7-9-14-11-6-2-1-4-10(11)5-3-8-13/h1-6,13H,8-9H2
InChIKeyMNVURHYGAIWDAR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.59
Rot. Bonds4

About 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile

2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile (PubChem CID 79335466) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile
PubChem CID79335466
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1C=CCO
InChIInChI=1S/C11H11NO2/c12-7-9-14-11-6-2-1-4-10(11)5-3-8-13/h1-6,13H,8-9H2
InChIKeyMNVURHYGAIWDAR-UHFFFAOYSA-N
XLogP1.59
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-prop-2-enoxyphenyl)prop-2-en-1-ol
CID 79335813
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
4-(2-ethoxyphenyl)but-3-enenitrile
CID 170799590
[[2-(cyanomethoxy)phenyl]methylideneamino]thiourea
CID 57364675
3-[2-(3-hydroxyprop-1-enyl)phenyl]-3-oxopropanenitrile
CID 169453908
2-[2-[(E)-3-(2-methoxy-4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile
CID 24561849
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-naphthalen-1-yloxyacetonitrile
CID 4123375
1-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 19579301
2-[2-[3-methyl-2-[(2-methylpropylamino)methyl]but-1-enyl]phenoxy]acetonitrile
CID 79342683
2-[2-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]phenoxy]acetonitrile
CID 79338074

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile (CID 79335466) is 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile is N#CCOc1ccccc1C=CCO.
What is the InChIKey of 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile?
The InChIKey is MNVURHYGAIWDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-7-9-14-11-6-2-1-4-10(11)5-3-8-13/h1-6,13H,8-9H2.
What are the key properties of 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile?
2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile has a molecular weight of 189.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyprop-1-enyl)phenoxy]acetonitrile is sourced from PubChem (CID 79335466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).