2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile

C12H15NO2 — CID 63215318

IUPAC2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile
SMILESCOc1ccc(C)cc1CC(C#N)CO
InChIInChI=1S/C12H15NO2/c1-9-3-4-12(15-2)11(5-9)6-10(7-13)8-14/h3-5,10,14H,6,8H2,1-2H3
InChIKeyTYZKWKNNKNZSCR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds4

About 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile

2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile (PubChem CID 63215318) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile
PubChem CID63215318
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile
SMILESCOc1ccc(C)cc1CC(C#N)CO
InChIInChI=1S/C12H15NO2/c1-9-3-4-12(15-2)11(5-9)6-10(7-13)8-14/h3-5,10,14H,6,8H2,1-2H3
InChIKeyTYZKWKNNKNZSCR-UHFFFAOYSA-N
XLogP1.68
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethoxyphenyl)methyl]-3-hydroxypropanenitrile
CID 82350267
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butanenitrile
CID 116931504
1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
(2R)-2-ethoxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 100546885
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile?
The IUPAC name of 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile (CID 63215318) is 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile.
What is the SMILES notation for 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile?
The canonical SMILES for 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile is COc1ccc(C)cc1CC(C#N)CO.
What is the InChIKey of 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile?
The InChIKey is TYZKWKNNKNZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-3-4-12(15-2)11(5-9)6-10(7-13)8-14/h3-5,10,14H,6,8H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile?
2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile has a molecular weight of 205.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)propanenitrile is sourced from PubChem (CID 63215318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).