3-Fluoro-α-methylbenzenemethanol

C₈H₉FOCAS 402-63-1140.16 g/mol

Open in Covalent MOL file

Alcohol Halogen

Properties

Molecular formula: C₈H₉FO
Molar mass: 140.16 g/mol
Exact mass: 140.0637 Da
Density: 1.1201 g/mL (at 20 °C)
Boiling point: 120–121 °C (at 45 Torr)
logP: 1.88Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

402-63-1

SMILES

CC(O)c1cccc(F)c1

InChIKey

YESOPGLEIJQAEF-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzenemethanol, 3-fluoro-α-methyl-
Benzyl alcohol, m-fluoro-α-methyl-
1-(3-Fluorophenyl)ethanol
NSC 2996
(±)-1-(m-Fluorophenyl)ethanol
1-(3-Fluorophenyl)ethan-1-ol

Work with 3-Fluoro-α-methylbenzenemethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(-)-1-(4-Fluorophenyl)ethanol101219-73-2 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 1-(4-Fluorophenyl)ethanol403-41-8 2-Fluoro-α-methylbenzenemethanol445-26-1 1-Ethoxy-2-fluorobenzene451-80-9 1-Ethoxy-3-fluorobenzene458-03-7 1-Ethoxy-4-fluorobenzene459-26-7

Elsewhere

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