[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

C11H14O4 — CID 719729

IUPAC[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1OC(c2ccccc2)O[C@@H]1CO
InChIInChI=1S/C11H14O4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1
InChIKeyAEJRVTSEJAYBNR-NXEZZACHSA-N
MW210.23 g/mol
LogP0.45
Rot. Bonds3

About [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol

[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 719729) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID719729
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOC[C@H]1OC(c2ccccc2)O[C@@H]1CO
InChIInChI=1S/C11H14O4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1
InChIKeyAEJRVTSEJAYBNR-NXEZZACHSA-N
XLogP0.45
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 719729) is [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is OC[C@H]1OC(c2ccccc2)O[C@@H]1CO.
What is the InChIKey of [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is AEJRVTSEJAYBNR-NXEZZACHSA-N. The full InChI is InChI=1S/C11H14O4/c12-6-9-10(7-13)15-11(14-9)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-/m1/s1.
What are the key properties of [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
[(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 210.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 719729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).