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

C₉H₁₀O₃CAS 3663-82-9166.18 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

2,3-Dihydrothieno(3,4-b)-1,4-dioxin-2-methanol146796-02-365 % similar 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 (R)-1,4-Benzodioxane-2-carboxylic acid70918-53-546 % similar 2-[(2-Methoxyphenoxy)methyl]oxirane2210-74-446 % 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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