ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate

C14H20O3 — CID 106681194

IUPACethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
SMILESCCOC(=O)CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H20O3/c1-5-17-14(15)7-6-12-11(3)8-10(2)9-13(12)16-4/h8-9H,5-7H2,1-4H3
InChIKeyKLXXKPLGWMSNLT-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds5

About ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate

ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate (PubChem CID 106681194) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
PubChem CID106681194
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
SMILESCCOC(=O)CCc1c(C)cc(C)cc1OC
InChIInChI=1S/C14H20O3/c1-5-17-14(15)7-6-12-11(3)8-10(2)9-13(12)16-4/h8-9H,5-7H2,1-4H3
InChIKeyKLXXKPLGWMSNLT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-methoxy-4,6-dimethylphenyl)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

methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
ethyl 3-[2,6-dimethoxy-4-(2-methylbutan-2-yl)phenyl]propanoate
CID 59859864
2-[2-(2-methoxy-4,6-dimethylphenyl)ethyl-methylamino]acetamide
CID 115260265
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
2-(2-methoxy-4,6-dimethylphenyl)ethylcarbamic acid
CID 115171165
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
4-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]butanoic acid
CID 115218737
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
methyl 2-[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]-2-oxoacetate
CID 115142563

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate?
The IUPAC name of ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate (CID 106681194) is ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate is CCOC(=O)CCc1c(C)cc(C)cc1OC.
What is the InChIKey of ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate?
The InChIKey is KLXXKPLGWMSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-14(15)7-6-12-11(3)8-10(2)9-13(12)16-4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate?
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate is sourced from PubChem (CID 106681194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).