3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile

C11H13NO2 — CID 79118792

IUPAC3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile
SMILESCOCc1ccccc1C(O)CC#N
InChIInChI=1S/C11H13NO2/c1-14-8-9-4-2-3-5-10(9)11(13)6-7-12/h2-5,11,13H,6,8H2,1H3
InChIKeyIZFRXHAXDVJDGX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.78
Rot. Bonds4

About 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile

3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile (PubChem CID 79118792) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile
PubChem CID79118792
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile
SMILESCOCc1ccccc1C(O)CC#N
InChIInChI=1S/C11H13NO2/c1-14-8-9-4-2-3-5-10(9)11(13)6-7-12/h2-5,11,13H,6,8H2,1H3
InChIKeyIZFRXHAXDVJDGX-UHFFFAOYSA-N
XLogP1.78
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[2-(methoxymethyl)phenyl]ethanol
CID 79567134
2-(5-chloro-2-fluorophenyl)-1-[2-(methoxymethyl)phenyl]ethanol
CID 103047666
3-[hydroxy-[2-(methoxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carbonitrile
CID 115338355
methyl 3-[2-(3-cyano-1,2-dihydroxypropyl)phenyl]propanoate
CID 171901825
3-hydroxy-3-(2-methyl-3-phenoxyphenyl)propanenitrile
CID 70587645
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
3-(2-bromo-4-methoxyphenyl)-3-hydroxypropanenitrile
CID 130534305
1-[2-fluoro-3-(methoxymethyl)phenyl]ethanol
CID 117279865
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
3-hydroxy-3-[2-(4-methoxyindol-1-yl)phenyl]propanenitrile
CID 155664801
5-[hydroxy-[2-(methoxymethyl)phenyl]methyl]furan-2-carboxylic acid
CID 106946154
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile?
The IUPAC name of 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile (CID 79118792) is 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile.
What is the SMILES notation for 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile?
The canonical SMILES for 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile is COCc1ccccc1C(O)CC#N.
What is the InChIKey of 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile?
The InChIKey is IZFRXHAXDVJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-8-9-4-2-3-5-10(9)11(13)6-7-12/h2-5,11,13H,6,8H2,1H3.
What are the key properties of 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile?
3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(methoxymethyl)phenyl]propanenitrile is sourced from PubChem (CID 79118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).