2-[2-(2-methoxyethyl)phenyl]acetonitrile

C11H13NO — CID 22645928

IUPAC2-[2-(2-methoxyethyl)phenyl]acetonitrile
SMILESCOCCc1ccccc1CC#N
InChIInChI=1S/C11H13NO/c1-13-9-7-11-5-3-2-4-10(11)6-8-12/h2-5H,6-7,9H2,1H3
InChIKeyLIYAHSFWYJOHKC-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(2-methoxyethyl)phenyl]acetonitrile

2-[2-(2-methoxyethyl)phenyl]acetonitrile (PubChem CID 22645928) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-(2-methoxyethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethyl)phenyl]acetonitrile
PubChem CID22645928
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-[2-(2-methoxyethyl)phenyl]acetonitrile
SMILESCOCCc1ccccc1CC#N
InChIInChI=1S/C11H13NO/c1-13-9-7-11-5-3-2-4-10(11)6-8-12/h2-5H,6-7,9H2,1H3
InChIKeyLIYAHSFWYJOHKC-UHFFFAOYSA-N
XLogP1.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyanomethyl)phenyl]propanenitrile
CID 55267785
1-cyano-N-[2-(2-methoxyethyl)phenyl]methanesulfonamide
CID 102906168
tris[2-[2-(2-methoxyethyl)phenyl]ethyl] phosphate
CID 70579626
2-[4-amino-3-(2-methoxyethyl)-2-phenylphenyl]acetonitrile
CID 91606130
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
4-[[2-(2-methoxyethyl)anilino]methyl]benzonitrile
CID 102847283
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
2-[2-[(4-butoxyphenoxy)methyl]phenyl]acetonitrile
CID 19050198
2-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 107937029
2-[2-(2-methoxypentyl)phenyl]acetonitrile
CID 156654421

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(2-methoxyethyl)phenyl]acetonitrile (CID 22645928) is 2-[2-(2-methoxyethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(2-methoxyethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(2-methoxyethyl)phenyl]acetonitrile is COCCc1ccccc1CC#N.
What is the InChIKey of 2-[2-(2-methoxyethyl)phenyl]acetonitrile?
The InChIKey is LIYAHSFWYJOHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-13-9-7-11-5-3-2-4-10(11)6-8-12/h2-5H,6-7,9H2,1H3.
What are the key properties of 2-[2-(2-methoxyethyl)phenyl]acetonitrile?
2-[2-(2-methoxyethyl)phenyl]acetonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethyl)phenyl]acetonitrile is sourced from PubChem (CID 22645928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).