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

C12H16O4 — CID 17042

IUPAC[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2ccccc2)OC1
InChIInChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChIKeyDHWCGYXHBIWIPM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.70
Rot. Bonds3

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

[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol (PubChem CID 17042) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
PubChem CID17042
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
SMILESOCC1(CO)COC(c2ccccc2)OC1
InChIInChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
InChIKeyDHWCGYXHBIWIPM-UHFFFAOYSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
Icariside F2
CID 14079045
(Diethoxymethyl)benzene
CID 69884
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
Benzyl b-primeveroside
CID 14730864
Hydrangeifolin I
CID 10549806
Benzyl beta-d-glucopyranoside
CID 188977
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CID 79409
4-Phenyl-1,3-dioxane
CID 92840
Benzyl beta-primeveroside
CID 131248
Phenylmethyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CID 6453389

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol (CID 17042) is [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol is OCC1(CO)COC(c2ccccc2)OC1.
What is the InChIKey of [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol?
The InChIKey is DHWCGYXHBIWIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2.
What are the key properties of [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol?
[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol has a molecular weight of 224.26 g/mol, XLogP of 0.70, 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-dioxan-5-yl]methanol is sourced from PubChem (CID 17042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).