ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate

C16H15FO3S — CID 141025572

IUPACethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate
SMILESCCOC(=O)C(Sc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3S/c1-2-20-16(19)15(11-3-5-12(17)6-4-11)21-14-9-7-13(18)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyQQRIMOZHPDONHM-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.93
Rot. Bonds5

About ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate

ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate (PubChem CID 141025572) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate
PubChem CID141025572
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Nameethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate
SMILESCCOC(=O)C(Sc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15FO3S/c1-2-20-16(19)15(11-3-5-12(17)6-4-11)21-14-9-7-13(18)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyQQRIMOZHPDONHM-UHFFFAOYSA-N
XLogP3.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572
ethyl 2-(4-fluorophenyl)sulfanylpentanoate
CID 79004770
ethyl 2-(2,4-difluorophenyl)sulfanyl-2-phenylacetate
CID 103603359
ethyl (2R)-2-(4-fluorophenyl)-2-(2-pyrrol-1-ylphenyl)sulfanylacetate
CID 129362435
ethyl 2-(4-fluorophenyl)-2-(2-pyrrol-1-ylphenyl)sulfanylacetate
CID 10021102
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl 2-(4-amino-3-methylphenyl)sulfanyl-2-phenylacetate
CID 106676911
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
ethyl (2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoate
CID 94194015
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
CID 10265664

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate (CID 141025572) is ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate is CCOC(=O)C(Sc1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate?
The InChIKey is QQRIMOZHPDONHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-2-20-16(19)15(11-3-5-12(17)6-4-11)21-14-9-7-13(18)8-10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate?
ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate has a molecular weight of 306.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-2-(4-hydroxyphenyl)sulfanylacetate is sourced from PubChem (CID 141025572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).