methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate

C14H20O5S — CID 66113128

IUPACmethyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate
SMILESCOC(=O)C(C)CS(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H20O5S/c1-11(14(15)18-3)10-20(16)9-8-19-13-6-4-12(17-2)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyFUANWGFRSCTJMZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.63
Rot. Bonds8

About methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate

methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate (PubChem CID 66113128) has the molecular formula C14H20O5S and a molecular weight of 300.38 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate
PubChem CID66113128
Molecular FormulaC14H20O5S
Molecular Weight300.38 g/mol
Exact Mass300.10
IUPAC Namemethyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate
SMILESCOC(=O)C(C)CS(=O)CCOc1ccc(OC)cc1
InChIInChI=1S/C14H20O5S/c1-11(14(15)18-3)10-20(16)9-8-19-13-6-4-12(17-2)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyFUANWGFRSCTJMZ-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
2-[3-(4-methoxyphenoxy)propylsulfinyl]propanoic acid
CID 123103873
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
sodium 2-(4-methoxyphenoxy)ethanesulfinate
CID 134995293
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927074
(2R)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927075
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
8-(4-methoxyphenoxy)-2-methyloctanoic acid
CID 10221340
methyl (2S)-3-[4-(3-aminooxypropoxy)phenyl]-2-methylpropanoate
CID 59873641
(2R)-2-acetamido-3-(3-phenoxypropylsulfinyl)propanoic acid
CID 107775631

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate (CID 66113128) is methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate is COC(=O)C(C)CS(=O)CCOc1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate?
The InChIKey is FUANWGFRSCTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5S/c1-11(14(15)18-3)10-20(16)9-8-19-13-6-4-12(17-2)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate?
methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate has a molecular weight of 300.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenoxy)ethylsulfinyl]-2-methylpropanoate is sourced from PubChem (CID 66113128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).