4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol

C₁₉H₁₆O₄SCAS 63134-33-8340.39 g/mol

Open in Covalent MOL file

Ether Phenol Sulfone

Properties

Molecular formula: C₁₉H₁₆O₄S
Molar mass: 340.39 g/mol
Exact mass: 340.0769 Da
Melting point: 166–168 °C
logP: 3.80Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

63134-33-8

SMILES

O=S(=O)(c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1

InChIKey

UWPJWCBDMZHMTN-UHFFFAOYSA-N

InChI

InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2

Weigh it out

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

Names and synonyms

10 names

Phenol, 4-[[4-(phenylmethoxy)phenyl]sulfonyl]-
4-Benzyloxy-4′-hydroxydiphenyl sulfone
p-(p-Benzyloxyphenylsulfonyl)phenol
4-Hydroxy-4′-benzyloxydiphenyl sulfone
4-Benzyloxyphenyl-4′-hydroxyphenyl sulfone
BPS-BN
4-Benzyloxyphenyl 4-hydroxyphenyl sulfone
BPS-MA 3
4-[4-(Benzyloxy)benzenesulfonyl]phenol
Phenol, 4-((4-(phenylmethoxy)phenyl)sulfonyl)-

Work with 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol

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

Monobenzone103-16-273 % similar 4-(Benzyloxy)benzene-1-sulfonyl chloride87001-32-957 % similar Hydroquinone dibenzyl ether621-91-055 % similar Bisphenol S80-09-155 % similar Benzyl 3-hydroxyphenyl ether3769-41-350 % similar 1-Bromo-4-phenylmethoxybenzene6793-92-650 % similar Benzyl phenyl ether946-80-550 % similar 4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol95235-30-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook