5-Methoxybenzofuran

C₉H₈O₂CAS 13391-28-1148.16 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
Melting point: 32–33 °C
Boiling point: 266 °C (at 706 Torr)
logP: 2.44Crippen estimate
Polar surface area: 22.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

13391-28-1

SMILES

COc1ccc2occc2c1

InChIKey

JJXPTUWJVQUHKN-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c1-10-8-2-3-9-7(6-8)4-5-11-9/h2-6H,1H3

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

Names and synonyms

3 names

Benzofuran, 5-methoxy-
R 7236
NSC 149953

Work with 5-Methoxybenzofuran

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

2,6-Dimethoxynaphthalene5486-55-558 % similar 2,7-Dimethoxynaphthalene3469-26-956 % similar β-Naphthol methyl ether93-04-950 % similar 5-Benzofuranol13196-10-648 % similar 5-Bromo-1-benzofuran23145-07-548 % similar 5-Methoxybenzofuran-2-carboxylic acid10242-08-746 % similar Benzofuran-5-boronic acid331834-13-045 % similar 2-Bromo-6-methoxynaphthalene5111-65-945 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 4-Acetylbenzaldehyde3457-45-2 5-Hydroxy-1-indanone3470-49-3 4-Hydroxyindan-1-one40731-98-4 3-Isochromanone4385-35-7

Elsewhere

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