ethyl (2S)-2-phenylpropanoate

C11H14O2 — CID 7204861

IUPACethyl (2S)-2-phenylpropanoate
SMILESCCOC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyUTUVIKZNQWNGIM-VIFPVBQESA-N
MW178.23 g/mol
LogP2.35
Rot. Bonds3

About ethyl (2S)-2-phenylpropanoate

ethyl (2S)-2-phenylpropanoate (PubChem CID 7204861) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl (2S)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-phenylpropanoate
PubChem CID7204861
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameethyl (2S)-2-phenylpropanoate
SMILESCCOC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1
InChIKeyUTUVIKZNQWNGIM-VIFPVBQESA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl (2R)-2-phenylpropanoate
CID 14926551
pentyl (2S)-2-phenylpropanoate
CID 70845237
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
2-hydroxypentyl 2-phenylpropanoate
CID 168936674
ethyl (2R)-2-(4-iodophenyl)propanoate
CID 129387500
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
ethyl 2-phenylbutanoate;sulfane
CID 174662373
ethyl 2-methylidene-3-phenylbutanoate
CID 10081635
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
1-phenylpropyl 2-phenylpropanoate
CID 174489936
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-phenylpropanoate (CID 7204861) is ethyl (2S)-2-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-phenylpropanoate is CCOC(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-phenylpropanoate?
The InChIKey is UTUVIKZNQWNGIM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O2/c1-3-13-11(12)9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-phenylpropanoate?
ethyl (2S)-2-phenylpropanoate has a molecular weight of 178.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-phenylpropanoate is sourced from PubChem (CID 7204861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).