ethyl (2S)-2-(4-methoxyphenoxy)propanoate

C12H16O4 — CID 94606551

IUPACethyl (2S)-2-(4-methoxyphenoxy)propanoate
SMILESCCOC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-4-15-12(13)9(2)16-11-7-5-10(14-3)6-8-11/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyZGFMBUHREWMBOI-VIFPVBQESA-N
MW224.26 g/mol
LogP2.03
Rot. Bonds5

About ethyl (2S)-2-(4-methoxyphenoxy)propanoate

ethyl (2S)-2-(4-methoxyphenoxy)propanoate (PubChem CID 94606551) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl (2S)-2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-methoxyphenoxy)propanoate
PubChem CID94606551
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl (2S)-2-(4-methoxyphenoxy)propanoate
SMILESCCOC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C12H16O4/c1-4-15-12(13)9(2)16-11-7-5-10(14-3)6-8-11/h5-9H,4H2,1-3H3/t9-/m0/s1
InChIKeyZGFMBUHREWMBOI-VIFPVBQESA-N
XLogP2.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-(4-methoxyphenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
CID 59993707
CID 59993707
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
ethyl (2S)-2-(6-bromonaphthalen-2-yl)oxypropanoate
CID 57054525
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
ethyl 2-[[(2R)-2-(4-methoxyphenoxy)propanoyl]-propylamino]acetate
CID 97027871
ethyl 2-(2-acetyl-5-methoxyphenoxy)propanoate
CID 15267098
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-methoxyphenoxy)propanoate?
The IUPAC name of ethyl (2S)-2-(4-methoxyphenoxy)propanoate (CID 94606551) is ethyl (2S)-2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for ethyl (2S)-2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for ethyl (2S)-2-(4-methoxyphenoxy)propanoate is CCOC(=O)[C@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of ethyl (2S)-2-(4-methoxyphenoxy)propanoate?
The InChIKey is ZGFMBUHREWMBOI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16O4/c1-4-15-12(13)9(2)16-11-7-5-10(14-3)6-8-11/h5-9H,4H2,1-3H3/t9-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-methoxyphenoxy)propanoate?
ethyl (2S)-2-(4-methoxyphenoxy)propanoate has a molecular weight of 224.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 94606551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).