[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate

C19H17NO3 — CID 7983981

IUPAC[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H17NO3/c1-15(23-18-11-9-17(14-20)10-12-18)19(21)22-13-5-8-16-6-3-2-4-7-16/h2-12,15H,13H2,1H3/b8-5+/t15-/m0/s1
InChIKeyRCRWCRWATIBFRF-PXTSUWAFSA-N
MW307.35 g/mol
LogP3.58
Rot. Bonds6

About [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate

[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate (PubChem CID 7983981) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate
PubChem CID7983981
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C19H17NO3/c1-15(23-18-11-9-17(14-20)10-12-18)19(21)22-13-5-8-16-6-3-2-4-7-16/h2-12,15H,13H2,1H3/b8-5+/t15-/m0/s1
InChIKeyRCRWCRWATIBFRF-PXTSUWAFSA-N
XLogP3.58
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate with MolForge

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Related Compounds

[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 9487236
(2S)-2-(4-cyanophenoxy)propanoic acid
CID 7127729
[2-oxo-2-(4-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977850
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984215
[2-oxo-2-(2-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7978126
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983674
(3,3-dimethyl-2-oxobutyl) (2S)-2-(4-cyanophenoxy)propanoate
CID 7984032
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
(3-cyanophenyl)methyl (2R)-2-(4-cyanophenoxy)propanoate
CID 7983583
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 47003917
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8636414

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate (CID 7983981) is [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate is C[C@H](Oc1ccc(C#N)cc1)C(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate?
The InChIKey is RCRWCRWATIBFRF-PXTSUWAFSA-N. The full InChI is InChI=1S/C19H17NO3/c1-15(23-18-11-9-17(14-20)10-12-18)19(21)22-13-5-8-16-6-3-2-4-7-16/h2-12,15H,13H2,1H3/b8-5+/t15-/m0/s1.
What are the key properties of [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate?
[(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate has a molecular weight of 307.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] (2S)-2-(4-cyanophenoxy)propanoate is sourced from PubChem (CID 7983981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).