(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane

C20H23FO3 — CID 130316791

IUPAC(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
SMILESCC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F
InChIInChI=1S/C20H23FO3/c1-15-19(21)20(23-13-17-10-6-3-7-11-17)18(24-15)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-20H,12-14H2,1H3/t15?,18-,19+,20-/m1/s1
InChIKeyBCLFNVOHRONJEX-FOUFQHLJSA-N
MW330.40 g/mol
LogP3.91
Rot. Bonds7

About (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane

(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane (PubChem CID 130316791) has the molecular formula C20H23FO3 and a molecular weight of 330.40 g/mol. Its IUPAC name is (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
PubChem CID130316791
Molecular FormulaC20H23FO3
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
SMILESCC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F
InChIInChI=1S/C20H23FO3/c1-15-19(21)20(23-13-17-10-6-3-7-11-17)18(24-15)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-20H,12-14H2,1H3/t15?,18-,19+,20-/m1/s1
InChIKeyBCLFNVOHRONJEX-FOUFQHLJSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R,5R)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 126693162
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,4S,6R)-2-methyl-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-amine
CID 118563862
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188
(2R,4S,5S)-2-chloro-3-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90859316
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane (CID 130316791) is (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane is CC1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1F.
What is the InChIKey of (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
The InChIKey is BCLFNVOHRONJEX-FOUFQHLJSA-N. The full InChI is InChI=1S/C20H23FO3/c1-15-19(21)20(23-13-17-10-6-3-7-11-17)18(24-15)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-20H,12-14H2,1H3/t15?,18-,19+,20-/m1/s1.
What are the key properties of (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane?
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane has a molecular weight of 330.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 130316791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).