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

C11H14O4 — CID 3688613

IUPAC[5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOCC1OC(c2ccccc2)OC1CO
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
InChIKeyAEJRVTSEJAYBNR-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.45
Rot. Bonds3

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

[5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (PubChem CID 3688613) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
PubChem CID3688613
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
SMILESOCC1OC(c2ccccc2)OC1CO
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
InChIKeyAEJRVTSEJAYBNR-UHFFFAOYSA-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 [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol (CID 3688613) is [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is OCC1OC(c2ccccc2)OC1CO.
What is the InChIKey of [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is AEJRVTSEJAYBNR-UHFFFAOYSA-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.
What are the key properties of [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol?
[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 [5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 3688613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).