2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol

C12H15FO4 — CID 123741782

IUPAC2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1CC(O)C(O)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H15FO4/c13-8-3-1-2-7(4-8)12-11(16)10(15)5-9(6-14)17-12/h1-4,9-12,14-16H,5-6H2
InChIKeyIONLVNBDFRRUGU-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.37
Rot. Bonds2

About 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol

2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 123741782) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID123741782
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
SMILESOCC1CC(O)C(O)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H15FO4/c13-8-3-1-2-7(4-8)12-11(16)10(15)5-9(6-14)17-12/h1-4,9-12,14-16H,5-6H2
InChIKeyIONLVNBDFRRUGU-UHFFFAOYSA-N
XLogP0.37
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,4R,5S,6R)-2-[3-[4-[3-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90251075
2-[3-[2-(3,5-dichlorophenyl)ethynyl]phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123721732
6-(hydroxymethyl)-2-[3-(5,5,5-trifluoropentoxy)phenyl]oxane-3,4-diol
CID 123894588
4-[3-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]benzonitrile
CID 123538014
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
(2S,3R,4S,6S)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4-diol;formaldehyde
CID 144864989
3-[(2R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-(4-formamidophenyl)benzamide
CID 144652691
2-[4-[4-[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 123511066
2-[[2-[3-(2-fluoroethoxy)phenyl]-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123856654
6-(hydroxymethyl)-2-(3-quinolin-4-yloxyphenyl)oxane-3,4-diol
CID 123241874
2-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6-(hydroxymethyl)oxane-3,4-diol
CID 123614765
6-(hydroxymethyl)-2-[3-[3-hydroxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]oxane-3,4-diol
CID 137037442

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol (CID 123741782) is 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol is OCC1CC(O)C(O)C(c2cccc(F)c2)O1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is IONLVNBDFRRUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c13-8-3-1-2-7(4-8)12-11(16)10(15)5-9(6-14)17-12/h1-4,9-12,14-16H,5-6H2.
What are the key properties of 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol?
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 242.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 123741782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).