chempirical

1-Hydroxy-3-phenylpropan-2-one

C9H10O2CAS 4982-08-5150.18 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C9H10O2
Molar mass
150.18 g/mol
Exact mass
150.0681 Da
logP
0.79Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
4982-08-5
SMILES
C1=CC=C(C=C1)CC(=O)CO
InChIKey
QLCZRWKIQPLYFS-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,10H,6-7H2

Weigh it out

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

Names and synonyms

2 names
  • 1-Hydroxy-3-phenyl-2-propanone
  • 1-Hydroxy-3-phenylacetone

Work with 1-Hydroxy-3-phenylpropan-2-one

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

Dibenzyl ketone102-04-571 % similar 4-Methyl-1-phenyl-2-pentanone5349-62-253 % similar Phenylacetic acid103-82-252 % similar 1-Phenyl-2-hexanone25870-62-652 % similar Phenylpyruvic acid156-06-947 % similar Phenylacetone103-79-747 % similar Dihydroxyacetone96-26-446 % similar Potassium phenylacetate13005-36-245 % similar

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

Same formula

Acetanisole100-06-1 4-Ethoxybenzaldehyde10031-82-0 Methyl phenylacetate101-41-7 (2,3-Dihydro-1-benzofuran-5-yl)methanol103262-35-7 2-Phenylethyl formate104-62-1 Hydroxychavicol1126-61-0 3-Methylphenyl acetate122-46-3 Phenyl glycidyl ether122-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook