(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile

C11H13NO2 — CID 174633888

IUPAC(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
SMILESCOCCO[C@@H](C#N)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-13-7-8-14-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyOTTMOVHIFCUZGV-NSHDSACASA-N
MW191.23 g/mol
LogP1.91
Rot. Bonds5

About (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile

(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile (PubChem CID 174633888) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
PubChem CID174633888
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile
SMILESCOCCO[C@@H](C#N)c1ccccc1
InChIInChI=1S/C11H13NO2/c1-13-7-8-14-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1
InChIKeyOTTMOVHIFCUZGV-NSHDSACASA-N
XLogP1.91
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[cyano(phenyl)methoxy]ethyl 4-methylbenzenesulfonate
CID 87558105
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
[hydroperoxy(2-methoxyethoxy)methyl]benzene
CID 10512152
2-ethoxy-2-[3-(methoxymethyl)phenyl]acetonitrile
CID 66070895
3-(3-methoxypropoxy)-3-phenylpropanenitrile
CID 115001313
[disulfanyl(2-methoxyethoxy)methyl]benzene
CID 169266933
2-(3-hydroxybutan-2-yloxy)-2-phenylacetonitrile
CID 85303765
(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
3-(2-methoxyethoxyamino)-3-phenylpropanenitrile
CID 82722769
2-(3,4-dimethoxyphenyl)-2-(2-hydroxyethoxy)acetonitrile
CID 103375794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile?
The IUPAC name of (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile (CID 174633888) is (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile is COCCO[C@@H](C#N)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile?
The InChIKey is OTTMOVHIFCUZGV-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-7-8-14-11(9-12)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile?
(2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyethoxy)-2-phenylacetonitrile is sourced from PubChem (CID 174633888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).