[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone

C15H19FO5 — CID 91200574

IUPAC[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone
SMILESCOC1(C(=O)c2ccccc2C)O[C@H](CO)[C@@H](F)[C@@]1(C)O
InChIInChI=1S/C15H19FO5/c1-9-6-4-5-7-10(9)13(18)15(20-3)14(2,19)12(16)11(8-17)21-15/h4-7,11-12,17,19H,8H2,1-3H3/t11-,12-,14-,15?/m1/s1
InChIKeyDYPXILGZLRGEAP-TVAMOIRASA-N
MW298.31 g/mol
LogP1.00
Rot. Bonds4

About [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone

[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone (PubChem CID 91200574) has the molecular formula C15H19FO5 and a molecular weight of 298.31 g/mol. Its IUPAC name is [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone
PubChem CID91200574
Molecular FormulaC15H19FO5
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone
SMILESCOC1(C(=O)c2ccccc2C)O[C@H](CO)[C@@H](F)[C@@]1(C)O
InChIInChI=1S/C15H19FO5/c1-9-6-4-5-7-10(9)13(18)15(20-3)14(2,19)12(16)11(8-17)21-15/h4-7,11-12,17,19H,8H2,1-3H3/t11-,12-,14-,15?/m1/s1
InChIKeyDYPXILGZLRGEAP-TVAMOIRASA-N
XLogP1.00
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone?
The IUPAC name of [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone (CID 91200574) is [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone is COC1(C(=O)c2ccccc2C)O[C@H](CO)[C@@H](F)[C@@]1(C)O.
What is the InChIKey of [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone?
The InChIKey is DYPXILGZLRGEAP-TVAMOIRASA-N. The full InChI is InChI=1S/C15H19FO5/c1-9-6-4-5-7-10(9)13(18)15(20-3)14(2,19)12(16)11(8-17)21-15/h4-7,11-12,17,19H,8H2,1-3H3/t11-,12-,14-,15?/m1/s1.
What are the key properties of [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone?
[(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone has a molecular weight of 298.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-methoxy-3-methyloxolan-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 91200574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).