ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate

C14H20O3 — CID 115002230

IUPACethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H20O3/c1-5-16-14(15)12(4)9-17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3
InChIKeyLBBOLWGRBMTYRT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.88
Rot. Bonds5

About ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate

ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate (PubChem CID 115002230) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
PubChem CID115002230
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H20O3/c1-5-16-14(15)12(4)9-17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3
InChIKeyLBBOLWGRBMTYRT-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-ethylphenoxy)-2-methylpropanoate
CID 115002229
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
2-[[3-(3,4-dimethylphenoxy)-2-methylpropanoyl]amino]acetic acid
CID 112509512
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
N-(1-aminopropan-2-yl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119585043
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
4-(3,4-dimethylphenoxy)butan-2-amine
CID 43118968
ethyl 4-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
CID 885375
ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
CID 107170380
1,2-dimethyl-4-propoxybenzene
CID 23549082

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate?
The IUPAC name of ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate (CID 115002230) is ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate is CCOC(=O)C(C)COc1ccc(C)c(C)c1.
What is the InChIKey of ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate?
The InChIKey is LBBOLWGRBMTYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-16-14(15)12(4)9-17-13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3.
What are the key properties of ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate?
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 115002230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).