[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol

C13H18O4 — CID 23452412

IUPAC[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
SMILESOCC1OCCC(COCc2ccccc2)O1
InChIInChI=1S/C13H18O4/c14-8-13-16-7-6-12(17-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyXHOROTQWJPADGV-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.33
Rot. Bonds5

About [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol

[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol (PubChem CID 23452412) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
PubChem CID23452412
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
SMILESOCC1OCCC(COCc2ccccc2)O1
InChIInChI=1S/C13H18O4/c14-8-13-16-7-6-12(17-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKeyXHOROTQWJPADGV-UHFFFAOYSA-N
XLogP1.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(2R,4R)-2-(2-bromoethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
CID 70623575
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
2-bromo-1-[5-(phenylmethoxymethyl)oxolan-2-yl]ethanone
CID 155043251
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205

Frequently Asked Questions

What is the IUPAC name of [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol?
The IUPAC name of [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol (CID 23452412) is [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol.
What is the SMILES notation for [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol?
The canonical SMILES for [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol is OCC1OCCC(COCc2ccccc2)O1.
What is the InChIKey of [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol?
The InChIKey is XHOROTQWJPADGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c14-8-13-16-7-6-12(17-13)10-15-9-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2.
What are the key properties of [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol?
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol has a molecular weight of 238.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol is sourced from PubChem (CID 23452412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).