3-Fluoro-4-methoxyphenol

C₇H₇FO₂CAS 452-11-9142.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Phenol

Properties

Molecular formula: C₇H₇FO₂
Molar mass: 142.13 g/mol
Exact mass: 142.0430 Da
Melting point: 54–55 °C
logP: 1.54Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

452-11-9

SMILES

COc1ccc(O)cc1F

InChIKey

ORECFXMTZQZHSP-UHFFFAOYSA-N

InChI

InChI=1S/C7H7FO2/c1-10-7-3-2-5(9)4-6(7)8/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

1 names

Phenol, 3-fluoro-4-methoxy-

Work with 3-Fluoro-4-methoxyphenol

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

3,4-Dimethoxyphenol2033-89-864 % similar 3-Fluoro-4-(trifluoromethoxy)phenol177596-38-261 % similar 4-Bromo-2-fluoroanisole2357-52-061 % similar 2,4-Difluoroanisole452-10-860 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 3,4-Difluorophenol2713-33-959 % similar 2-Fluoro-4-methylanisole399-55-358 % similar 3-Fluoro-4-methoxyaniline366-99-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-4-methoxyphenol167683-93-4 4-Fluoro-2-methoxyphenol450-93-1 5-Fluoro-2-methoxyphenol72955-97-6 2-Fluoro-6-methoxyphenol73943-41-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook