(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane

C19H23FO4S — CID 54407320

IUPAC(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2cccs2)[C@H]1OCc1ccccc1F
InChIInChI=1S/C19H23FO4S/c1-3-16-17(22-11-13-7-4-5-9-15(13)20)18(19(21-2)24-16)23-12-14-8-6-10-25-14/h4-10,16-19H,3,11-12H2,1-2H3/t16-,17+,18-,19?/m1/s1
InChIKeyVRQGCIYFWNJQPY-MHYDHLEJSA-N
MW366.45 g/mol
LogP4.14
Rot. Bonds8

About (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane

(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane (PubChem CID 54407320) has the molecular formula C19H23FO4S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane.

Molecular Properties

Compound Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane
PubChem CID54407320
Molecular FormulaC19H23FO4S
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane
SMILESCC[C@H]1OC(OC)[C@H](OCc2cccs2)[C@H]1OCc1ccccc1F
InChIInChI=1S/C19H23FO4S/c1-3-16-17(22-11-13-7-4-5-9-15(13)20)18(19(21-2)24-16)23-12-14-8-6-10-25-14/h4-10,16-19H,3,11-12H2,1-2H3/t16-,17+,18-,19?/m1/s1
InChIKeyVRQGCIYFWNJQPY-MHYDHLEJSA-N
XLogP4.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane?
The IUPAC name of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane (CID 54407320) is (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane.
What is the SMILES notation for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane?
The canonical SMILES for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane is CC[C@H]1OC(OC)[C@H](OCc2cccs2)[C@H]1OCc1ccccc1F.
What is the InChIKey of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane?
The InChIKey is VRQGCIYFWNJQPY-MHYDHLEJSA-N. The full InChI is InChI=1S/C19H23FO4S/c1-3-16-17(22-11-13-7-4-5-9-15(13)20)18(19(21-2)24-16)23-12-14-8-6-10-25-14/h4-10,16-19H,3,11-12H2,1-2H3/t16-,17+,18-,19?/m1/s1.
What are the key properties of (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane?
(2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane has a molecular weight of 366.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-ethyl-3-[(2-fluorophenyl)methoxy]-5-methoxy-4-(thiophen-2-ylmethoxy)oxolane is sourced from PubChem (CID 54407320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).