ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate

C15H22O4 — CID 155631420

IUPACethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(OC)cc1C
InChIInChI=1S/C15H22O4/c1-7-18-14(16)15(4,5)19-13-10(2)8-12(17-6)9-11(13)3/h8-9H,7H2,1-6H3
InChIKeyWSTCZLWYVVGPNM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.03
Rot. Bonds5

About ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate

ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate (PubChem CID 155631420) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
PubChem CID155631420
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Oc1c(C)cc(OC)cc1C
InChIInChI=1S/C15H22O4/c1-7-18-14(16)15(4,5)19-13-10(2)8-12(17-6)9-11(13)3/h8-9H,7H2,1-6H3
InChIKeyWSTCZLWYVVGPNM-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,6-dimethyl-4-sulfanylphenoxy)-2-methylpropanoate
CID 176907549
ethyl 2-[4-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenyl]phenoxy]-2-methylpropanoate
CID 3063023
tert-butyl 2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoate
CID 145439931
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
CID 5239443
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydroiodide
CID 175590665
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;dihydrate
CID 70531737
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
CID 71192492
2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
CID 145439775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate (CID 155631420) is ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(C)cc(OC)cc1C.
What is the InChIKey of ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate?
The InChIKey is WSTCZLWYVVGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-18-14(16)15(4,5)19-13-10(2)8-12(17-6)9-11(13)3/h8-9H,7H2,1-6H3.
What are the key properties of ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate?
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate is sourced from PubChem (CID 155631420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).