[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol

C13H16O3 — CID 142437642

IUPAC[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol
SMILESOC[C@@H]1CC[C@@]2(Cc3ccccc3CO2)O1
InChIInChI=1S/C13H16O3/c14-8-12-5-6-13(16-12)7-10-3-1-2-4-11(10)9-15-13/h1-4,12,14H,5-9H2/t12-,13-/m0/s1
InChIKeyGWSKNGXAKODARZ-STQMWFEESA-N
MW220.27 g/mol
LogP1.63
Rot. Bonds1

About [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol

[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol (PubChem CID 142437642) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol.

Molecular Properties

Compound Name[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol
PubChem CID142437642
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol
SMILESOC[C@@H]1CC[C@@]2(Cc3ccccc3CO2)O1
InChIInChI=1S/C13H16O3/c14-8-12-5-6-13(16-12)7-10-3-1-2-4-11(10)9-15-13/h1-4,12,14H,5-9H2/t12-,13-/m0/s1
InChIKeyGWSKNGXAKODARZ-STQMWFEESA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,5'S)-5'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,2'-oxolane]-5-yl]ethanone
CID 142437647
(2'R,3S,3'S)-2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437622
2'-(hydroxymethyl)spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-ol
CID 142437645
CID 142437651
CID 142437651
[(2S,5S)-1,10-dioxaspiro[4.5]decan-2-yl]methanol
CID 13363042
spiro[1,5-dihydro-2,4-benzodioxepine-3,1'-cyclohexane]
CID 10560784
(3S,3'R,4'S)-spiro[1,4-dihydroisochromene-3,6'-oxane]-3',4'-diol;(3R,3'S,4'R,5'R)-spiro[1,4-dihydroisochromene-3,2'-oxane]-3',4',5'-triol
CID 157289188
2-[(5,5-dimethyloxolan-2-yl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 116525028
[(2S,7R,8S,9R)-8,9-bis(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]decan-2-yl]methanol
CID 135033374
(8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl)methanol
CID 22744409
tri(propan-2-yl)-[(2'R,3S,3'S)-2'-[tri(propan-2-yl)silyloxymethyl]spiro[1,4-dihydroisochromene-3,5'-oxolane]-3'-yl]oxysilane
CID 142437628
(3S,3'R,4'S,5'S,6'R)-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 15089071

Frequently Asked Questions

What is the IUPAC name of [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol?
The IUPAC name of [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol (CID 142437642) is [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol.
What is the SMILES notation for [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol?
The canonical SMILES for [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol is OC[C@@H]1CC[C@@]2(Cc3ccccc3CO2)O1.
What is the InChIKey of [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol?
The InChIKey is GWSKNGXAKODARZ-STQMWFEESA-N. The full InChI is InChI=1S/C13H16O3/c14-8-12-5-6-13(16-12)7-10-3-1-2-4-11(10)9-15-13/h1-4,12,14H,5-9H2/t12-,13-/m0/s1.
What are the key properties of [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol?
[(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol has a molecular weight of 220.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2'S,3S)-spiro[1,4-dihydroisochromene-3,5'-oxolane]-2'-yl]methanol is sourced from PubChem (CID 142437642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).