ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate

C17H18O4S — CID 129382572

IUPACethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)[C@@H](Sc1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O4S/c1-3-21-17(19)16(12-4-8-14(20-2)9-5-12)22-15-10-6-13(18)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyUYFIVLMLIZRHTI-INIZCTEOSA-N
MW318.39 g/mol
LogP3.80
Rot. Bonds6

About ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate

ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate (PubChem CID 129382572) has the molecular formula C17H18O4S and a molecular weight of 318.39 g/mol. Its IUPAC name is ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
PubChem CID129382572
Molecular FormulaC17H18O4S
Molecular Weight318.39 g/mol
Exact Mass318.09
IUPAC Nameethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
SMILESCCOC(=O)[C@@H](Sc1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18O4S/c1-3-21-17(19)16(12-4-8-14(20-2)9-5-12)22-15-10-6-13(18)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1
InChIKeyUYFIVLMLIZRHTI-INIZCTEOSA-N
XLogP3.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate
CID 141025572
methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]acetate
CID 162356013
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
methyl 2-acetamido-3-[2-ethoxy-1-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoate
CID 175023703
ethyl 2-(4-methoxyphenyl)sulfanyl-3-methylbutanoate;N-hydroxy-2-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
CID 158933985
ethyl (2R,3R)-2-amino-3-(4-methoxyphenyl)butanoate;ethyl (2S,3S)-2-amino-3-(4-methoxyphenyl)butanoate
CID 170905939

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate?
The IUPAC name of ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate (CID 129382572) is ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate?
The canonical SMILES for ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate is CCOC(=O)[C@@H](Sc1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate?
The InChIKey is UYFIVLMLIZRHTI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O4S/c1-3-21-17(19)16(12-4-8-14(20-2)9-5-12)22-15-10-6-13(18)7-11-15/h4-11,16,18H,3H2,1-2H3/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate?
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate has a molecular weight of 318.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 129382572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).