methyl 2-(2-ethylphenoxy)propanoate

C12H16O3 — CID 60643103

IUPACmethyl 2-(2-ethylphenoxy)propanoate
SMILESCCc1ccccc1OC(C)C(=O)OC
InChIInChI=1S/C12H16O3/c1-4-10-7-5-6-8-11(10)15-9(2)12(13)14-3/h5-9H,4H2,1-3H3
InChIKeyCIUZCBFSDMNCNN-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-(2-ethylphenoxy)propanoate

methyl 2-(2-ethylphenoxy)propanoate (PubChem CID 60643103) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-(2-ethylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-ethylphenoxy)propanoate
PubChem CID60643103
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namemethyl 2-(2-ethylphenoxy)propanoate
SMILESCCc1ccccc1OC(C)C(=O)OC
InChIInChI=1S/C12H16O3/c1-4-10-7-5-6-8-11(10)15-9(2)12(13)14-3/h5-9H,4H2,1-3H3
InChIKeyCIUZCBFSDMNCNN-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl (2S)-2-[2-(hydroxymethyl)phenoxy]propanoate
CID 103338014
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
methyl 2-(2-ethoxyphenoxy)propanoate
CID 60643182
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 53285104
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 99131605
(2-ethylphenyl) methyl carbonate
CID 67179071
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethylphenoxy)propanoate?
The IUPAC name of methyl 2-(2-ethylphenoxy)propanoate (CID 60643103) is methyl 2-(2-ethylphenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-ethylphenoxy)propanoate?
The canonical SMILES for methyl 2-(2-ethylphenoxy)propanoate is CCc1ccccc1OC(C)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethylphenoxy)propanoate?
The InChIKey is CIUZCBFSDMNCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-10-7-5-6-8-11(10)15-9(2)12(13)14-3/h5-9H,4H2,1-3H3.
What are the key properties of methyl 2-(2-ethylphenoxy)propanoate?
methyl 2-(2-ethylphenoxy)propanoate has a molecular weight of 208.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethylphenoxy)propanoate is sourced from PubChem (CID 60643103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).