(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol

C12H14F2O3 — CID 502248

IUPAC(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1cc([C@@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-6-2-7(9(14)3-8(6)13)11-4-10(16)12(5-15)17-11/h2-3,10-12,15-16H,4-5H2,1H3/t10-,11-,12+/m0/s1
InChIKeyVZSIWTWOIQVYAZ-SDDRHHMPSA-N
MW244.24 g/mol
LogP1.46
Rot. Bonds2

About (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 502248) has the molecular formula C12H14F2O3 and a molecular weight of 244.24 g/mol. Its IUPAC name is (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID502248
Molecular FormulaC12H14F2O3
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCc1cc([C@@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F
InChIInChI=1S/C12H14F2O3/c1-6-2-7(9(14)3-8(6)13)11-4-10(16)12(5-15)17-11/h2-3,10-12,15-16H,4-5H2,1H3/t10-,11-,12+/m0/s1
InChIKeyVZSIWTWOIQVYAZ-SDDRHHMPSA-N
XLogP1.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-
CID 20371
D-Ribitol, 1,4-anhydro-1-C-phenyl-, (1S)-
CID 5271317
(2S,3S)-(-)-2,3-Epoxy-2-methyl-3-phenyl-1-propanol
CID 176040
beta-Ethoxybenzeneethanol
CID 3015860
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
1-(2-Deoxyribofuranosyl)-2,4-difluoro-5-methyl-benzene-5'monophosphate
CID 46937086
2-[(2R,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol
CID 44240268
2-[(2S,5S)-5-methyl-5-(4-methylphenyl)oxolan-2-yl]propan-2-ol
CID 44583949
Phenyl C-2'-deoxyribosyl nucleoside
CID 125255
(2R,3S,5R)-5-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502242
[(2R,3R)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 148181
1,2-Propanediol, 3-(p-ethylbenzyloxy)-
CID 113946

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol (CID 502248) is (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol is Cc1cc([C@@H]2C[C@H](O)[C@@H](CO)O2)c(F)cc1F.
What is the InChIKey of (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is VZSIWTWOIQVYAZ-SDDRHHMPSA-N. The full InChI is InChI=1S/C12H14F2O3/c1-6-2-7(9(14)3-8(6)13)11-4-10(16)12(5-15)17-11/h2-3,10-12,15-16H,4-5H2,1H3/t10-,11-,12+/m0/s1.
What are the key properties of (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 244.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-5-(2,4-difluoro-5-methylphenyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 502248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).