3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid

C20H19FO6 — CID 91323170

IUPAC3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1[C@H]1OC(O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO6/c1-11-13(9-6-10-14(11)17(22)23)15-16(20(2,21)19(25)26-15)27-18(24)12-7-4-3-5-8-12/h3-10,15-16,19,25H,1-2H3,(H,22,23)/t15-,16-,19?,20-/m1/s1
InChIKeyFTEZWTYCGVBRLX-ZSVOKBKLSA-N
MW374.36 g/mol
LogP3.04
Rot. Bonds4

About 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid

3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid (PubChem CID 91323170) has the molecular formula C20H19FO6 and a molecular weight of 374.36 g/mol. Its IUPAC name is 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid
PubChem CID91323170
Molecular FormulaC20H19FO6
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid
SMILESCc1c(C(=O)O)cccc1[C@H]1OC(O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19FO6/c1-11-13(9-6-10-14(11)17(22)23)15-16(20(2,21)19(25)26-15)27-18(24)12-7-4-3-5-8-12/h3-10,15-16,19,25H,1-2H3,(H,22,23)/t15-,16-,19?,20-/m1/s1
InChIKeyFTEZWTYCGVBRLX-ZSVOKBKLSA-N
XLogP3.04
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]-2-methylbenzoic acid
CID 90962548
[(2R,3R,4R,5R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl] 2-methylbenzoate
CID 67432504
[(1R,4S,5S)-3-acetyloxy-4-benzoyloxy-5-fluoro-2-oxabicyclo[3.1.0]hexan-6-yl] benzoate
CID 156571665
[(3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 59583577
[(2R,3R,4R,5R)-3-benzoyloxy-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 53305815
[(2R,3R,4R,5R)-3-benzoyloxy-4,5-dihydroxy-4-methyloxolan-2-yl]methyl benzoate
CID 141094005
[(2R,3R)-2-ethyl-4-fluoro-5-methoxy-4-methyloxolan-3-yl] benzoate
CID 70950384
[(15R,16S)-16-benzoyloxy-8-methyl-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl] benzoate
CID 170936691
[(2R,3R,5R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
CID 15673520
[(3R,4S,5R,6R)-4,5-dibenzoyloxy-6-bromo-6-hydroxyoxan-3-yl] benzoate
CID 141187477
(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
CID 54070858
[(2R,3R,4R,5R)-5-acetyloxy-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate
CID 90333374

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid?
The IUPAC name of 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid (CID 91323170) is 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid is Cc1c(C(=O)O)cccc1[C@H]1OC(O)[C@](C)(F)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid?
The InChIKey is FTEZWTYCGVBRLX-ZSVOKBKLSA-N. The full InChI is InChI=1S/C20H19FO6/c1-11-13(9-6-10-14(11)17(22)23)15-16(20(2,21)19(25)26-15)27-18(24)12-7-4-3-5-8-12/h3-10,15-16,19,25H,1-2H3,(H,22,23)/t15-,16-,19?,20-/m1/s1.
What are the key properties of 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid?
3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid has a molecular weight of 374.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4R)-3-benzoyloxy-4-fluoro-5-hydroxy-4-methyloxolan-2-yl]-2-methylbenzoic acid is sourced from PubChem (CID 91323170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).