[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate

C17H15NO3 — CID 9140873

IUPAC[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(15-5-3-2-4-6-15)21-17(19)12-20-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3/t13-/m1/s1
InChIKeyFHJOGUWUXMZQJQ-CYBMUJFWSA-N
MW281.31 g/mol
LogP3.24
Rot. Bonds5

About [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate

[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 9140873) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
PubChem CID9140873
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H15NO3/c1-13(15-5-3-2-4-6-15)21-17(19)12-20-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3/t13-/m1/s1
InChIKeyFHJOGUWUXMZQJQ-CYBMUJFWSA-N
XLogP3.24
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-(4-fluorophenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7842738
(2-oxo-1,2-diphenylethyl) 2-(4-cyanophenoxy)acetate
CID 23990439
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7605153
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9141078
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 7843330
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-(4-cyanophenoxy)acetate
CID 7843086
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 2078238
propan-2-yl 2-phenoxyacetate
CID 11367560
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 26476872
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7670995

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate (CID 9140873) is [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate is C[C@@H](OC(=O)COc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is FHJOGUWUXMZQJQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H15NO3/c1-13(15-5-3-2-4-6-15)21-17(19)12-20-16-9-7-14(11-18)8-10-16/h2-10,13H,12H2,1H3/t13-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate?
[(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 281.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 9140873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).