ethyl (2S)-2-(2-methoxyphenyl)propanoate

C12H16O3 — CID 129388209

IUPACethyl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C12H16O3/c1-4-15-12(13)9(2)10-7-5-6-8-11(10)14-3/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyDYJYWKCEISRMBA-VIFPVBQESA-N
MW208.26 g/mol
LogP2.36
Rot. Bonds4

About ethyl (2S)-2-(2-methoxyphenyl)propanoate

ethyl (2S)-2-(2-methoxyphenyl)propanoate (PubChem CID 129388209) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl (2S)-2-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-methoxyphenyl)propanoate
PubChem CID129388209
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl (2S)-2-(2-methoxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](C)c1ccccc1OC
InChIInChI=1S/C12H16O3/c1-4-15-12(13)9(2)10-7-5-6-8-11(10)14-3/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyDYJYWKCEISRMBA-VIFPVBQESA-N
XLogP2.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
ethyl 2-(5-hydroxy-2-methoxyphenyl)propanoate
CID 105481737
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
benzhydryl (2S)-2-(2-methoxyphenyl)propanoate
CID 156776599
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-methoxyphenyl)propanoate?
The IUPAC name of ethyl (2S)-2-(2-methoxyphenyl)propanoate (CID 129388209) is ethyl (2S)-2-(2-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-methoxyphenyl)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-methoxyphenyl)propanoate is CCOC(=O)[C@@H](C)c1ccccc1OC.
What is the InChIKey of ethyl (2S)-2-(2-methoxyphenyl)propanoate?
The InChIKey is DYJYWKCEISRMBA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O3/c1-4-15-12(13)9(2)10-7-5-6-8-11(10)14-3/h5-9H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(2-methoxyphenyl)propanoate?
ethyl (2S)-2-(2-methoxyphenyl)propanoate has a molecular weight of 208.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 129388209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).