2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile

C12H15NO3 — CID 103376060

IUPAC2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)OCCO)cc1C
InChIInChI=1S/C12H15NO3/c1-9-7-10(3-4-11(9)15-2)12(8-13)16-6-5-14/h3-4,7,12,14H,5-6H2,1-2H3
InChIKeyNGQFHPFCKQYNLG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile

2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile (PubChem CID 103376060) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
PubChem CID103376060
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)OCCO)cc1C
InChIInChI=1S/C12H15NO3/c1-9-7-10(3-4-11(9)15-2)12(8-13)16-6-5-14/h3-4,7,12,14H,5-6H2,1-2H3
InChIKeyNGQFHPFCKQYNLG-UHFFFAOYSA-N
XLogP1.58
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375794
2-(4-bromo-3-methylphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375920
2-(3-bromo-4-methylphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103376070
2-(4-fluoro-3-methylphenyl)-2-(3-hydroxypropoxy)acetonitrile
CID 103376524
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
2-(3,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070290
2-(4-methoxy-3-methylphenyl)-4-methyl-3-oxopentanenitrile
CID 82115822
methyl 2-cyano-2-(4-methoxy-3-methylphenyl)acetate
CID 82114134
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile (CID 103376060) is 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile is COc1ccc(C(C#N)OCCO)cc1C.
What is the InChIKey of 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile?
The InChIKey is NGQFHPFCKQYNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-7-10(3-4-11(9)15-2)12(8-13)16-6-5-14/h3-4,7,12,14H,5-6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile?
2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile has a molecular weight of 221.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-2-(4-methoxy-3-methylphenyl)acetonitrile is sourced from PubChem (CID 103376060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).