[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol

C17H26O6 — CID 159973315

IUPAC[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
SMILESOCC1(CO)COC1.OCC1(COCc2ccccc2)COC1
InChIInChI=1S/C12H16O3.C5H10O3/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11;6-1-5(2-7)3-8-4-5/h1-5,13H,6-10H2;6-7H,1-4H2
InChIKeyOEVKETUJVQHJIP-UHFFFAOYSA-N
MW326.39 g/mol
LogP0.20
Rot. Bonds7

About [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol

[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol (PubChem CID 159973315) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
PubChem CID159973315
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
SMILESOCC1(CO)COC1.OCC1(COCc2ccccc2)COC1
InChIInChI=1S/C12H16O3.C5H10O3/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11;6-1-5(2-7)3-8-4-5/h1-5,13H,6-10H2;6-7H,1-4H2
InChIKeyOEVKETUJVQHJIP-UHFFFAOYSA-N
XLogP0.20
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]ethanamine
CID 102940530
3-(butoxymethyl)-3-ethyloxetane;3-ethyl-3-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxymethyl]oxetane;3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]methoxymethyl]oxetane;3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 159566916
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 102940533
4-N,4-N-bis[4-(N-[4-[(3-ethyloxetan-3-yl)methoxymethyl]phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59372141
N-[[3-(phenylmethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
CID 102940532
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
(2S)-1-[benzyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-3-phenylmethoxypropan-2-ol
CID 168984483
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol (CID 159973315) is [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol is OCC1(CO)COC1.OCC1(COCc2ccccc2)COC1.
What is the InChIKey of [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol?
The InChIKey is OEVKETUJVQHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3.C5H10O3/c13-7-12(9-15-10-12)8-14-6-11-4-2-1-3-5-11;6-1-5(2-7)3-8-4-5/h1-5,13H,6-10H2;6-7H,1-4H2.
What are the key properties of [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol?
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol has a molecular weight of 326.39 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 159973315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).