(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile

C16H15NO2 — CID 174633884

IUPAC(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
SMILESCCOc1ccc(O[C@@H](C#N)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-2-18-14-8-10-15(11-9-14)19-16(12-17)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3/t16-/m0/s1
InChIKeyDYXSINVTNDKHAJ-INIZCTEOSA-N
MW253.30 g/mol
LogP3.73
Rot. Bonds5

About (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile

(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile (PubChem CID 174633884) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
PubChem CID174633884
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile
SMILESCCOc1ccc(O[C@@H](C#N)c2ccccc2)cc1
InChIInChI=1S/C16H15NO2/c1-2-18-14-8-10-15(11-9-14)19-16(12-17)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3/t16-/m0/s1
InChIKeyDYXSINVTNDKHAJ-INIZCTEOSA-N
XLogP3.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methoxyphenoxy)-2-phenylacetonitrile
CID 174733563
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
1-ethoxy-4-(2-methyl-1-phenylpropyl)benzene
CID 58493580
2-bromo-2-(4-ethoxyphenyl)acetonitrile
CID 83086822
ethoxybenzene;ethoxyethane
CID 67764259
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
ethoxybenzene chloride
CID 21193593
(2S)-2-[(2S)-2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]-2-(3-phenoxyphenyl)acetonitrile
CID 67877867
2-(4-ethoxyphenyl)-3-methylpentanenitrile
CID 79445729
1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
2-[cyano(phenyl)methoxy]-2-phenoxyacetic acid
CID 70080911
ethoxybenzene;molecular iodine
CID 67763605

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile?
The IUPAC name of (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile (CID 174633884) is (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile is CCOc1ccc(O[C@@H](C#N)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile?
The InChIKey is DYXSINVTNDKHAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-18-14-8-10-15(11-9-14)19-16(12-17)13-6-4-3-5-7-13/h3-11,16H,2H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile?
(2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxyphenoxy)-2-phenylacetonitrile is sourced from PubChem (CID 174633884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).