3-(2-hydroxy-5-methoxyphenyl)propanenitrile

C10H11NO2 — CID 130773609

IUPAC3-(2-hydroxy-5-methoxyphenyl)propanenitrile
SMILESCOc1ccc(O)c(CCC#N)c1
InChIInChI=1S/C10H11NO2/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h4-5,7,12H,2-3H2,1H3
InChIKeyBJYHRWPISVBGCV-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.86
Rot. Bonds3

About 3-(2-hydroxy-5-methoxyphenyl)propanenitrile

3-(2-hydroxy-5-methoxyphenyl)propanenitrile (PubChem CID 130773609) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-(2-hydroxy-5-methoxyphenyl)propanenitrile
PubChem CID130773609
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(2-hydroxy-5-methoxyphenyl)propanenitrile
SMILESCOc1ccc(O)c(CCC#N)c1
InChIInChI=1S/C10H11NO2/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h4-5,7,12H,2-3H2,1H3
InChIKeyBJYHRWPISVBGCV-UHFFFAOYSA-N
XLogP1.86
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
3-(5-fluoro-2-hydroxyphenyl)propanenitrile
CID 130883570
3-[2-(difluoromethyl)-4-methoxyphenyl]propanenitrile
CID 118826042
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
3-(5-ethyl-2-hydroxy-4-methoxyphenyl)propanenitrile
CID 84778473
4-methoxy-2-[(4-methoxyphenyl)methyl]phenol
CID 67461298
N-acetyl-2-(2-cyanoethyl)-5-methoxybenzamide
CID 134849391
(2-hydroxy-5-methoxyphenyl)methyl-trimethylazanium iodide
CID 56773565
2-(diazenylmethyl)-4-methoxyphenol
CID 91523792
4-[2-(hydroxymethyl)-4-methoxyphenoxy]butanenitrile
CID 43267979
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methoxyphenyl)propanenitrile?
The IUPAC name of 3-(2-hydroxy-5-methoxyphenyl)propanenitrile (CID 130773609) is 3-(2-hydroxy-5-methoxyphenyl)propanenitrile.
What is the SMILES notation for 3-(2-hydroxy-5-methoxyphenyl)propanenitrile?
The canonical SMILES for 3-(2-hydroxy-5-methoxyphenyl)propanenitrile is COc1ccc(O)c(CCC#N)c1.
What is the InChIKey of 3-(2-hydroxy-5-methoxyphenyl)propanenitrile?
The InChIKey is BJYHRWPISVBGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-9-4-5-10(12)8(7-9)3-2-6-11/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxy-5-methoxyphenyl)propanenitrile?
3-(2-hydroxy-5-methoxyphenyl)propanenitrile has a molecular weight of 177.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methoxyphenyl)propanenitrile is sourced from PubChem (CID 130773609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).