(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane

C14H19FO3 — CID 15000118

IUPAC(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](F)C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO3/c1-10-12(15)8-13(14(16-2)18-10)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1
InChIKeyMXOHZKNSMSHPKW-CABNGKKXSA-N
MW254.30 g/mol
LogP2.69
Rot. Bonds4

About (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane

(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane (PubChem CID 15000118) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
PubChem CID15000118
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@H]1O[C@H](C)[C@@H](F)C[C@H]1OCc1ccccc1
InChIInChI=1S/C14H19FO3/c1-10-12(15)8-13(14(16-2)18-10)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1
InChIKeyMXOHZKNSMSHPKW-CABNGKKXSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzyl beta-primeveroside
CID 131248
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CID 107381

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The IUPAC name of (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane (CID 15000118) is (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The canonical SMILES for (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane is CO[C@H]1O[C@H](C)[C@@H](F)C[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
The InChIKey is MXOHZKNSMSHPKW-CABNGKKXSA-N. The full InChI is InChI=1S/C14H19FO3/c1-10-12(15)8-13(14(16-2)18-10)17-9-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/t10-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane?
(2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane has a molecular weight of 254.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane is sourced from PubChem (CID 15000118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).