chempirical

4,4'-Dimethoxybenzoin

C16H16O4CAS 119-52-8272.30 g/mol

Open in Covalent MOL file
OOOHO
AlcoholEtherKetone

Properties

Molecular formula
C16H16O4
Molar mass
272.30 g/mol
Exact mass
272.1049 Da
Melting point
111–113 °C
logP
2.62Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
119-52-8
SMILES
COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1
InChIKey
LRRQSCPPOIUNGX-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 4,4′-Dimethoxybenzoin
  • Ethanone, 2-hydroxy-1,2-bis(4-methoxyphenyl)-
  • p-Anisoin
  • 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethanone
  • 1-Oxo-1,2-bis(p-methoxyphenyl)-2-hydroxyethane
  • p,p′-Dimethoxybenzoin
  • NSC 7960
  • NSC 8504
  • (±)-p-Anisoin
  • 1,2-Bis(4-methoxyphenyl)-2-hydroxyethanone
  • 2-Hydroxy-4′-methoxy-2-(4-methoxyphenyl)-acetophenone
  • 2-Hydroxy-1,2-di(4-methoxyphenyl)ethanone
  • 2-Hydroxy-1,2-bis(4-methoxyphenyl)ethan-1-one

Work with 4,4'-Dimethoxybenzoin

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

4-Methoxymandelic acid10502-44-064 % similar 4,4'-Dimethylbenzoin1218-89-963 % similar Cyclopropyl(4-methoxyphenyl)methanone7152-03-658 % similar Benzoin (organic compound)119-53-954 % similar (±)-Benzoin579-44-254 % similar p-Anisic acid100-09-450 % similar 4,4′-Dimethoxybenzil1226-42-250 % similar p,p'-Dimethoxybenzhydryl alcohol728-87-050 % similar

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

Same formula

Loureirin C116384-24-8 2-Benzyloxy-4,5-dimethoxybenzaldehyde14382-86-6 Deoxyshikonin43043-74-9 3′-Hydroxypterostilbene475231-21-1 4-Methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester87932-34-1

Elsewhere

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