ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate

C14H20O3S — CID 71192492

IUPACethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(SC)cc1C
InChIInChI=1S/C14H20O3S/c1-6-16-13(15)14(3,4)17-12-8-7-11(18-5)9-10(12)2/h7-9H,6H2,1-5H3
InChIKeyGVGANMLKWMSUAW-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate

ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate (PubChem CID 71192492) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
PubChem CID71192492
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Nameethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(SC)cc1C
InChIInChI=1S/C14H20O3S/c1-6-16-13(15)14(3,4)17-12-8-7-11(18-5)9-10(12)2/h7-9H,6H2,1-5H3
InChIKeyGVGANMLKWMSUAW-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)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

ethyl 2-(4-formyl-2-methylphenoxy)-2-methylpropanoate
CID 18448413
ethyl 2-[4-(1-aminoethyl)-2-methylphenoxy]-2-methylpropanoate
CID 20766027
ethyl 2-methyl-2-[2-methyl-4-(1-nitrosoethyl)phenoxy]propanoate
CID 91205348
ethyl 2-[4-(2-aminopropyl)-2-methylphenoxy]-2-methylpropanoate
CID 69346234
3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3-methylphenyl]propanoic acid
CID 69346277
ethyl 2-methyl-2-[2-methyl-4-(1-oxopropan-2-yl)phenoxy]propanoate
CID 87793687
ethyl 2-[4-[[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoate
CID 21018928
ethyl 2-[4-[[3-(3-chloro-4-methylphenyl)-1,2,4-thiadiazol-5-yl]methylsulfanyl]-2-methylphenoxy]-2-methylpropanoate
CID 21018923
ethyl 2-[4-[2-[(3R)-1-benzyl-4-(4-methylsulfanylbenzoyl)pyrrolidin-3-yl]ethyl]-2-methylphenoxy]-2-methylpropanoate
CID 145439864
ethyl 2-[4-[3-(1-aminoethyl)-5-fluorophenoxy]-2-methylphenoxy]-2-methylpropanoate
CID 58853654
ethyl 2-[4-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-thiadiazol-5-yl]ethylsulfanyl]-2-methylphenoxy]-2-methylpropanoate
CID 71012933
ethyl 2-methyl-2-[2-methyl-4-[[4-(4-methylphenyl)phenyl]methylselanyl]phenoxy]propanoate;methane
CID 162172537

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate (CID 71192492) is ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate is CCOC(=O)C(C)(C)Oc1ccc(SC)cc1C.
What is the InChIKey of ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate?
The InChIKey is GVGANMLKWMSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-6-16-13(15)14(3,4)17-12-8-7-11(18-5)9-10(12)2/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate?
ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate has a molecular weight of 268.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methyl-4-methylsulfanylphenoxy)propanoate is sourced from PubChem (CID 71192492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).