chempirical

2,3-Dihydro-1,4-benzodioxin-2-methanol

C9H10O3CAS 3663-82-9166.18 g/mol

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HOOO
AlcoholEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
86 °C
Boiling point
154–155 °C (at 12 Torr)
logP
0.82Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
3663-82-9
SMILES
OCC1COc2ccccc2O1
InChIKey
GWQOQQVKVOOHTI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 1,4-Benzodioxin-2-methanol, 2,3-dihydro-
  • 1,4-Benzodioxan-2-methanol
  • 2-(Hydroxymethyl)-1,4-benzodioxan
  • 2-(Hydroxymethyl)-1,4-benzodioxane
  • 1,4-Benzodioxane-2-methanol
  • (2,3-Dihydro-1,4-benzodioxin-2-yl)methanol
  • NSC 1880
  • NSC 24520
  • NSC 36118
  • NSC 36578
  • NSC 403800
  • NSC 51502
  • (1,4-Benzodioxan-2-yl)methanol
  • 2-(Hydroxymethyl)-2,3-dihydro-1,4-benzodioxane
  • 2,3-Dihydro-1,4-benzodioxin-3-ylmethanol
  • 2-Hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin

Work with 2,3-Dihydro-1,4-benzodioxin-2-methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Bromomethyl)-1,4-benzodioxane2164-34-361 % similar 2-Aminomethyl-1,4-benzodioxane4442-59-561 % similar Guaifenesin93-14-149 % similar 1,4-Benzodioxane-2-carboxylic acid34385-93-846 % similar 1,4-Benzodioxane-2-carboxylic acid3663-80-746 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-446 % similar 2-(Phenylmethoxy)-1,3-propanediol14690-00-745 % similar (±)-Mephenesin59-47-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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