4-Allyloxy-2-hydroxybenzophenone

C₁₆H₁₄O₃CAS 2549-87-3254.28 g/mol

Open in Covalent MOL file

Alkene Ether Ketone Phenol

Properties

Molecular formula: C₁₆H₁₄O₃
Molar mass: 254.28 g/mol
Exact mass: 254.0943 Da
Melting point: 67.5–68.5 °C
Boiling point: 166–178 °C (at 1 Torr)
logP: 3.19Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2549-87-3

SMILES

C=CCOc1ccc(C(=O)c2ccccc2)c(O)c1

InChIKey

GVZIBGFELWPEOC-UHFFFAOYSA-N

InChI

InChI=1S/C16H14O3/c1-2-10-19-13-8-9-14(15(17)11-13)16(18)12-6-4-3-5-7-12/h2-9,11,17H,1,10H2

Weigh it out

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

Names and synonyms

10 names

4-(Allyloxy)-2-hydroxybenzophenone
Methanone, [2-hydroxy-4-(2-propen-1-yloxy)phenyl]phenyl-
Benzophenone, 4-(allyloxy)-2-hydroxy-
Methanone, [2-hydroxy-4-(2-propenyloxy)phenyl]phenyl-
[2-Hydroxy-4-(2-propen-1-yloxy)phenyl]phenylmethanone
2-Hydroxy-4-allyloxybenzophenone
(4-Allyloxy-2-hydroxy-phenyl)-phenyl-methanone
(2-Hydroxy-4-prop-2-enoxyphenyl)-phenylmethanone
(4-(Allyloxy)-2-hydroxyphenyl)(phenyl)methanone
2-Benzoyl-5-(prop-2-en-1-yloxy)phenol

Work with 4-Allyloxy-2-hydroxybenzophenone

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-(4-Benzoyl-3-hydroxyphenoxy)ethyl acrylate16432-81-865 % similar Oxybenzone131-57-761 % similar Octabenzone1843-05-660 % similar 2-Hydroxy-4-dodecyloxybenzophenone2985-59-360 % similar 4-Benzoyl-3-hydroxyphenyl methacrylate2035-72-555 % similar [4-[(2-Ethylhexyl)oxy]-2-hydroxyphenyl]phenylmethanone2549-90-854 % similar 2,4-Dihydroxybenzophenone131-56-653 % similar 4,6-Dibenzoylresorcinol3088-15-151 % similar

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

Same formula

Ketoprofen22071-15-4 (+)-Ketoprofen22161-81-5 4-Acetylphenyl ether2615-11-4 6-Methoxyflavanone3034-04-6 Fenbufen36330-85-5 Benzoin acetate574-06-1

Elsewhere

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