[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate

C20H21FO5 — CID 171125171

IUPAC[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OC[C@H]2OC(O)[C@@H](OCc3ccccc3)[C@@H]2F)cc1
InChIInChI=1S/C20H21FO5/c1-13-7-9-15(10-8-13)19(22)25-12-16-17(21)18(20(23)26-16)24-11-14-5-3-2-4-6-14/h2-10,16-18,20,23H,11-12H2,1H3/t16-,17-,18+,20?/m1/s1
InChIKeySNKQPPRWZALWRK-FFELKDMISA-N
MW360.38 g/mol
LogP2.79
Rot. Bonds6

About [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate

[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate (PubChem CID 171125171) has the molecular formula C20H21FO5 and a molecular weight of 360.38 g/mol. Its IUPAC name is [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate.

Molecular Properties

Compound Name[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate
PubChem CID171125171
Molecular FormulaC20H21FO5
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OC[C@H]2OC(O)[C@@H](OCc3ccccc3)[C@@H]2F)cc1
InChIInChI=1S/C20H21FO5/c1-13-7-9-15(10-8-13)19(22)25-12-16-17(21)18(20(23)26-16)24-11-14-5-3-2-4-6-14/h2-10,16-18,20,23H,11-12H2,1H3/t16-,17-,18+,20?/m1/s1
InChIKeySNKQPPRWZALWRK-FFELKDMISA-N
XLogP2.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
[(2R,3S,4R,5R)-2-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] 4-methylbenzoate
CID 171123801
[(2R,3R,4S)-4-benzoyloxy-3-fluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 126567775
[4-benzoyloxy-5-hydroxy-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
CID 171124322
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 138518451
[(2R,3R,4S)-3-fluoro-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 175174191
[(2R,3R,4S,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl 4-methylbenzoate
CID 101019750
[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
[(2S,3S,4R,5R,6R)-5-acetyloxy-6-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] 4-methylbenzoate
CID 171124235
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
[(2R,3S,4S,5R,6R)-3,5-dibenzoyloxy-6-hydroxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]methyl benzoate
CID 171121872

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate?
The IUPAC name of [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate (CID 171125171) is [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate.
What is the SMILES notation for [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate?
The canonical SMILES for [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate is Cc1ccc(C(=O)OC[C@H]2OC(O)[C@@H](OCc3ccccc3)[C@@H]2F)cc1.
What is the InChIKey of [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate?
The InChIKey is SNKQPPRWZALWRK-FFELKDMISA-N. The full InChI is InChI=1S/C20H21FO5/c1-13-7-9-15(10-8-13)19(22)25-12-16-17(21)18(20(23)26-16)24-11-14-5-3-2-4-6-14/h2-10,16-18,20,23H,11-12H2,1H3/t16-,17-,18+,20?/m1/s1.
What are the key properties of [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate?
[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate has a molecular weight of 360.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate is sourced from PubChem (CID 171125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).