[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol

C13H16O4 — CID 116930311

IUPAC[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc3c(c2)OCCO3)COC1
InChIInChI=1S/C13H16O4/c14-7-13(8-15-9-13)6-10-1-2-11-12(5-10)17-4-3-16-11/h1-2,5,14H,3-4,6-9H2
InChIKeyNZKWWKOAIHLWMC-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.01
Rot. Bonds3

About [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol

[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol (PubChem CID 116930311) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
PubChem CID116930311
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol
SMILESOCC1(Cc2ccc3c(c2)OCCO3)COC1
InChIInChI=1S/C13H16O4/c14-7-13(8-15-9-13)6-10-1-2-11-12(5-10)17-4-3-16-11/h1-2,5,14H,3-4,6-9H2
InChIKeyNZKWWKOAIHLWMC-UHFFFAOYSA-N
XLogP1.01
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 116929377
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)cyclopentane-1-carboxylic acid
CID 95479036
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexane-1-carboxylic acid
CID 95479031
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
[3-[(1-methyl-2,3-dihydroindol-5-yl)methyl]oxetan-3-yl]methanol
CID 116997114
7-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-4H-1,4-benzothiazin-3-one
CID 116998884
[3-[(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116930397
[3-(3,4-dihydro-2H-1,4-benzothiazin-7-ylmethyl)oxetan-3-yl]methanol
CID 116999086

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol?
The IUPAC name of [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol (CID 116930311) is [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol is OCC1(Cc2ccc3c(c2)OCCO3)COC1.
What is the InChIKey of [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol?
The InChIKey is NZKWWKOAIHLWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-7-13(8-15-9-13)6-10-1-2-11-12(5-10)17-4-3-16-11/h1-2,5,14H,3-4,6-9H2.
What are the key properties of [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol?
[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol has a molecular weight of 236.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 116930311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).