2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

C19H23FO5S — CID 59533901

IUPAC2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCCc1ccc(Cc2sccc2OC2OC(CO)C(F)C(O)C2O)cc1
InChIInChI=1S/C19H23FO5S/c1-2-11-3-5-12(6-4-11)9-15-13(7-8-26-15)24-19-18(23)17(22)16(20)14(10-21)25-19/h3-8,14,16-19,21-23H,2,9-10H2,1H3
InChIKeyCOGHSRURSSVJSJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol

2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 59533901) has the molecular formula C19H23FO5S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID59533901
Molecular FormulaC19H23FO5S
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
SMILESCCc1ccc(Cc2sccc2OC2OC(CO)C(F)C(O)C2O)cc1
InChIInChI=1S/C19H23FO5S/c1-2-11-3-5-12(6-4-11)9-15-13(7-8-26-15)24-19-18(23)17(22)16(20)14(10-21)25-19/h3-8,14,16-19,21-23H,2,9-10H2,1H3
InChIKeyCOGHSRURSSVJSJ-UHFFFAOYSA-N
XLogP2.06
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

6-(hydroxymethyl)-5-methoxy-2-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,4-diol
CID 71053335
5-fluoro-6-(hydroxymethyl)-2-[2-(5-methoxy-2-methylhepta-2,4-dienyl)thiophen-3-yl]oxyoxane-3,4-diol
CID 123405590
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxy-5-methyloxane-3,4-diol
CID 56843246
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]thiophen-3-yl]oxyoxane-3,5-diol
CID 147328547
2-[2-[2-(4-ethoxyphenyl)ethyl]thiophen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44546307
(2R,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69014613
(2S,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10109940
(3R,4R,5S,6R)-2-ethoxy-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 15949155
2-[2-(1-benzothiophen-2-ylmethyl)thiophen-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 21045268
2-[4-ethyl-2-(methylamino)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 145396390
[3-(4-ethylphenoxy)oxiran-2-yl]methanol
CID 174303126
2-[4-[(4-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 59533885

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol (CID 59533901) is 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is CCc1ccc(Cc2sccc2OC2OC(CO)C(F)C(O)C2O)cc1.
What is the InChIKey of 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is COGHSRURSSVJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO5S/c1-2-11-3-5-12(6-4-11)9-15-13(7-8-26-15)24-19-18(23)17(22)16(20)14(10-21)25-19/h3-8,14,16-19,21-23H,2,9-10H2,1H3.
What are the key properties of 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol?
2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 382.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethylphenyl)methyl]thiophen-3-yl]oxy-5-fluoro-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 59533901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).