2'-Hydroxy-3-phenylpropiophenone

C₁₅H₁₄O₂CAS 3516-95-8226.28 g/mol

Open in Covalent MOL file

Ketone Phenol

Properties

Molecular formula: C₁₅H₁₄O₂
Molar mass: 226.28 g/mol
Exact mass: 226.0994 Da
Melting point: 32 °C
Boiling point: 162.5–163 °C (at 0.5 Torr)
logP: 3.21Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed21.6% of notifiers
H315 Causes skin irritation21.1% of notifiers
H319 Causes serious eye irritation21.1% of notifiers
H335 May cause respiratory irritation20.6% of notifiers
H400 Very toxic to aquatic life53.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects53.8% of notifiers

Aggregated from 199 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3516-95-8

SMILES

O=C(CCc1ccccc1)c1ccccc1O

InChIKey

JCPGMXJLFWGRMZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

Weigh it out

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

Names and synonyms

9 names

2′-Hydroxydihydrochalcone
1-Propanone, 1-(2-hydroxyphenyl)-3-phenyl-
Propiophenone, 2′-hydroxy-3-phenyl-
1-(2-Hydroxyphenyl)-3-phenyl-1-propanone
1-(o-Hydroxyphenyl)-3-phenylpropanone-1
2-Hydroxy-β-phenylpropiophenone
β-Phenyl-2-hydroxypropiophenone
2′-Hydroxy-3-phenylpropiophenone
1-(2-Hydroxyphenyl)-3-phenylpropan-1-one

Work with 2'-Hydroxy-3-phenylpropiophenone

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-Hydroxybutyrophenone2887-61-865 % similar 4-Hydroxyindan-1-one40731-98-462 % similar 1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione1469-94-960 % similar 2-Bromo-2'-hydroxyacetophenone2491-36-359 % similar 2'-Hydroxypropiophenone610-99-159 % similar Dihydrochalcone1083-30-356 % similar Phenethyl salicylate87-22-955 % similar 5-Hydroxy-1-tetralone28315-93-754 % similar

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

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 p-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook