2,4-Dihydroxyphenyl benzyl ketone

C₁₄H₁₂O₃CAS 3669-41-8228.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₂O₃
Molar mass: 228.25 g/mol
Exact mass: 228.0786 Da
Melting point: 115 °C
Boiling point: 192–194 °C (at 0.2 Torr)
logP: 2.52Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

3669-41-8

SMILES

O=C(Cc1ccccc1)c1ccc(O)cc1O

InChIKey

VFQKAJVKZKHVPD-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2

Weigh it out

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Names and synonyms

11 names

Ethanone, 1-(2,4-dihydroxyphenyl)-2-phenyl-
Acetophenone, 2′,4′-dihydroxy-2-phenyl-
1-(2,4-Dihydroxyphenyl)-2-phenylethanone
2,4-Dihydroxydeoxybenzoin
2′,4′-Dihydroxy-2-phenylacetophenone
4-(Phenylacetyl)resorcinol
ω-Phenylresacetophenone
2,4-Dihydroxydesoxybenzoin
NSC 105542
Benzyl 2,4-dihydroxyphenyl ketone
1-(2,4-Dihydroxyphenyl)-2-phenylethan-1-one

Work with 2,4-Dihydroxyphenyl benzyl ketone

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'-Dihydroxypropiophenone5792-36-961 % similar 2,4-Dihydroxybenzophenone131-56-656 % similar 2,2',4,4'-Tetrahydroxybenzophenone131-55-553 % similar 2'-Hydroxy-3-phenylpropiophenone3516-95-850 % similar 2,4-Dihydroxybenzoic acid89-86-150 % similar 2′,4′-Dihydroxyacetophenone89-84-949 % similar 2,4,4'-Trihydroxybenzophenone1470-79-748 % similar 2-Phenylacetophenone451-40-147 % similar

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

Same formula

Benzyl salicylate118-58-1 Oxybenzone131-57-7 2-(4-Phenylphenoxy)acetic acid13333-86-3 2-(Benzyloxy)benzoic acid14389-86-7 4-(Benzyloxy)benzoic acid1486-51-7 Desmethoxyyangonin15345-89-8 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-9 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-1

Elsewhere

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