[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol

C13H12O3 — CID 102377836

IUPAC[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
SMILESOC[C@@H]1COc2ccc3ccccc3c2O1
InChIInChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2/t10-/m1/s1
InChIKeyAXDTTXSWSDJBQS-SNVBAGLBSA-N
MW216.24 g/mol
LogP1.97
Rot. Bonds1

About [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol

[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol (PubChem CID 102377836) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
PubChem CID102377836
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
SMILESOC[C@@H]1COc2ccc3ccccc3c2O1
InChIInChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2/t10-/m1/s1
InChIKeyAXDTTXSWSDJBQS-SNVBAGLBSA-N
XLogP1.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
CID 13157038
[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol
CID 11138224
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
1-[(3S)-5-hydroxy-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 69017006
[(8S)-1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
CID 11594133
[1-[(2S)-2-aminopropyl]-7,8-dihydro-[1,4]dioxino[2,3-g]indazol-8-yl]methanol
CID 11666121
3-(hydroxymethyl)-6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 136601354
3-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
CID 22664924
(3S)-3-(hydroxymethyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid;methyl (3S)-3-(hydroxymethyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 157404479
(3S)-3-(hydroxymethyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid;(3S)-3-(hydroxymethyl)-5-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;methane;(1R)-1-naphthalen-1-ylethanamine
CID 160977196
[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
[5-(deuteriomethyl)-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 59456460

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol?
The IUPAC name of [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol (CID 102377836) is [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol.
What is the SMILES notation for [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol?
The canonical SMILES for [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol is OC[C@@H]1COc2ccc3ccccc3c2O1.
What is the InChIKey of [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol?
The InChIKey is AXDTTXSWSDJBQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12O3/c14-7-10-8-15-12-6-5-9-3-1-2-4-11(9)13(12)16-10/h1-6,10,14H,7-8H2/t10-/m1/s1.
What are the key properties of [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol?
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol has a molecular weight of 216.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol is sourced from PubChem (CID 102377836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).