ethyl 3-(4-ethylphenoxy)-2-methylpropanoate

C14H20O3 — CID 115002229

IUPACethyl 3-(4-ethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COc1ccc(CC)cc1
InChIInChI=1S/C14H20O3/c1-4-12-6-8-13(9-7-12)17-10-11(3)14(15)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyOYMGRQVZYVOBCQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.83
Rot. Bonds6

About ethyl 3-(4-ethylphenoxy)-2-methylpropanoate

ethyl 3-(4-ethylphenoxy)-2-methylpropanoate (PubChem CID 115002229) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenoxy)-2-methylpropanoate
PubChem CID115002229
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 3-(4-ethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COc1ccc(CC)cc1
InChIInChI=1S/C14H20O3/c1-4-12-6-8-13(9-7-12)17-10-11(3)14(15)16-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyOYMGRQVZYVOBCQ-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(4-ethylphenoxy)-2-methylpropanoate 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

ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230
2-(4-ethylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 19165748
3-[4-(aminomethyl)phenoxy]-2-methylpropanamide
CID 43311802
(4-ethoxyphenyl)methyl 2-methylbutanoate
CID 146892900
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
1-(2,2-diethoxyethoxy)-4-ethylbenzene
CID 12661794
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
(2S,3S)-3-bromo-1-(4-ethylphenoxy)butan-2-ol
CID 131857038
4-(4-ethylphenoxy)-3-methylbutan-1-amine
CID 112515228
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
ethyl (2R)-2-amino-2-(4-ethylphenyl)acetate
CID 93034516
propyl 2-(4-ethylphenoxy)acetate
CID 78907907

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenoxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(4-ethylphenoxy)-2-methylpropanoate (CID 115002229) is ethyl 3-(4-ethylphenoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(4-ethylphenoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(4-ethylphenoxy)-2-methylpropanoate is CCOC(=O)C(C)COc1ccc(CC)cc1.
What is the InChIKey of ethyl 3-(4-ethylphenoxy)-2-methylpropanoate?
The InChIKey is OYMGRQVZYVOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-12-6-8-13(9-7-12)17-10-11(3)14(15)16-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 3-(4-ethylphenoxy)-2-methylpropanoate?
ethyl 3-(4-ethylphenoxy)-2-methylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 115002229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).