[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate

C19H18F2O5 — CID 126567792

IUPAC[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)C1(F)F)c1ccccc1
InChIInChI=1S/C19H18F2O5/c20-19(21)15(12-25-17(22)14-9-5-2-6-10-14)26-18(23)16(19)24-11-13-7-3-1-4-8-13/h1-10,15-16,18,23H,11-12H2/t15-,16+,18?/m1/s1
InChIKeyPVOGFYMLKKFMQW-LNKXUWQBSA-N
MW364.34 g/mol
LogP2.78
Rot. Bonds6

About [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate

[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate (PubChem CID 126567792) has the molecular formula C19H18F2O5 and a molecular weight of 364.34 g/mol. Its IUPAC name is [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate
PubChem CID126567792
Molecular FormulaC19H18F2O5
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate
SMILESO=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)C1(F)F)c1ccccc1
InChIInChI=1S/C19H18F2O5/c20-19(21)15(12-25-17(22)14-9-5-2-6-10-14)26-18(23)16(19)24-11-13-7-3-1-4-8-13/h1-10,15-16,18,23H,11-12H2/t15-,16+,18?/m1/s1
InChIKeyPVOGFYMLKKFMQW-LNKXUWQBSA-N
XLogP2.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,4R)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 11462654
[(2R,3R,4R)-4-fluoro-5-hydroxy-3-phenylmethoxyoxolan-2-yl]methyl benzoate
CID 129152365
[(2R,3R,4R,5R)-5-(benzoyloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 101201663
[(2R,3R,4R)-3,4,5-trihydroxy-3-(trifluoromethyl)oxolan-2-yl]methyl benzoate
CID 174224819
[(2R,3R,4R)-3-(difluoromethyl)-3,4,5-trihydroxyoxolan-2-yl]methyl benzoate
CID 174224824
[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 15673520
[(3S,4S,6R)-3-hydroxy-4,5,6-tris(phenylmethoxy)oxan-2-yl]methyl benzoate
CID 46783493
[(3aR,5R,6R,7S,7aR)-6-hydroxy-2,2-dimethyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl benzoate
CID 10927804
benzyl benzoate
CID 2345
[(2R,3R,4R)-3-fluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl 4-methylbenzoate
CID 171125171
[(2R,3R,5R)-3,5-dibenzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate
CID 141214431
[3-(benzoyloxymethyl)oxiran-2-yl]methyl benzoate
CID 85086924

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate?
The IUPAC name of [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate (CID 126567792) is [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate.
What is the SMILES notation for [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate?
The canonical SMILES for [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate is O=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)C1(F)F)c1ccccc1.
What is the InChIKey of [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate?
The InChIKey is PVOGFYMLKKFMQW-LNKXUWQBSA-N. The full InChI is InChI=1S/C19H18F2O5/c20-19(21)15(12-25-17(22)14-9-5-2-6-10-14)26-18(23)16(19)24-11-13-7-3-1-4-8-13/h1-10,15-16,18,23H,11-12H2/t15-,16+,18?/m1/s1.
What are the key properties of [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate?
[(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate has a molecular weight of 364.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-3,3-difluoro-5-hydroxy-4-phenylmethoxyoxolan-2-yl]methyl benzoate is sourced from PubChem (CID 126567792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).