ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate

C14H20O5 — CID 43174180

IUPACethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
SMILESCCOC(=O)CCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C14H20O5/c1-5-18-13(15)6-7-19-14-11(16-3)8-10(2)9-12(14)17-4/h8-9H,5-7H2,1-4H3
InChIKeyDVCUTWPDULGXHG-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.34
Rot. Bonds7

About ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate

ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate (PubChem CID 43174180) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
PubChem CID43174180
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Nameethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
SMILESCCOC(=O)CCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C14H20O5/c1-5-18-13(15)6-7-19-14-11(16-3)8-10(2)9-12(14)17-4/h8-9H,5-7H2,1-4H3
InChIKeyDVCUTWPDULGXHG-UHFFFAOYSA-N
XLogP2.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-acetyl-2,6-dimethoxyphenoxy)butanoate
CID 86752782
6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one
CID 106802063
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl 3-(2,4,6-triiodophenoxy)propanoate
CID 43174164
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
ethyl 2-(4-iodo-2,6-dimethoxyphenoxy)acetate
CID 22485514
ethyl 4-(2,3-dimethoxy-5-nitrophenoxy)butanoate
CID 59442402
ethyl 7-oxo-7-(3,4,5-trimethoxyphenyl)heptanoate
CID 24727690
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
CID 143526710
ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
ethyl 4-[2,6-dimethoxy-4-[(2R,4R)-2-(3,4,5-trimethoxyphenyl)-1,3-dithiolan-4-yl]phenoxy]butanoate
CID 54546793
ethyl 4-(4-butanoyl-2-methoxyphenoxy)butanoate
CID 68799318

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate?
The IUPAC name of ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate (CID 43174180) is ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate?
The canonical SMILES for ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate is CCOC(=O)CCOc1c(OC)cc(C)cc1OC.
What is the InChIKey of ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate?
The InChIKey is DVCUTWPDULGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-5-18-13(15)6-7-19-14-11(16-3)8-10(2)9-12(14)17-4/h8-9H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate?
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate has a molecular weight of 268.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate is sourced from PubChem (CID 43174180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).