4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol

C12H14O5 — CID 57077446

IUPAC4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol
SMILESOCC1(O)COC(O)(C=Cc2ccccc2)O1
InChIInChI=1S/C12H14O5/c13-8-11(14)9-16-12(15,17-11)7-6-10-4-2-1-3-5-10/h1-7,13-15H,8-9H2
InChIKeyYVMOAXYUVBRKIX-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.07
Rot. Bonds3

About 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol

4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol (PubChem CID 57077446) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol
PubChem CID57077446
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol
SMILESOCC1(O)COC(O)(C=Cc2ccccc2)O1
InChIInChI=1S/C12H14O5/c13-8-11(14)9-16-12(15,17-11)7-6-10-4-2-1-3-5-10/h1-7,13-15H,8-9H2
InChIKeyYVMOAXYUVBRKIX-UHFFFAOYSA-N
XLogP0.07
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol
CID 102179390
2-methyl-2-[(E)-2-phenylethenyl]-1,3-oxathiolane
CID 11469817
2-methyl-2-(2-phenylethenyl)-1,4-dioxane
CID 57070203
(E)-9-phenylnon-8-en-1-ol
CID 10489025
(E)-4,6-diphenylhex-5-en-1-ol
CID 162409276
2-phenylethenamine;hydrobromide
CID 175408568
(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol
CID 102305330
acetic acid;stilbene
CID 172803728
pentan-1-ol;(E)-stilbene
CID 172553874
CID 70569152
CID 70569152
CID 70567885
CID 70567885

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol?
The IUPAC name of 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol (CID 57077446) is 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol.
What is the SMILES notation for 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol?
The canonical SMILES for 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol is OCC1(O)COC(O)(C=Cc2ccccc2)O1.
What is the InChIKey of 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol?
The InChIKey is YVMOAXYUVBRKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c13-8-11(14)9-16-12(15,17-11)7-6-10-4-2-1-3-5-10/h1-7,13-15H,8-9H2.
What are the key properties of 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol?
4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol has a molecular weight of 238.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol is sourced from PubChem (CID 57077446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).