Tetraphenylphosphonium phenoxide

C₃₀H₂₅OPCAS 15464-47-8432.50 g/mol

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Properties

Molecular formula: C₃₀H₂₅OP
Molar mass: 432.50 g/mol
Exact mass: 432.1643 Da
logP: 5.07Crippen estimate
Polar surface area: 23.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H318 Causes serious eye damage100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 26 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number

15464-47-8

SMILES

[O-]c1ccccc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

InChIKey

ZLLNYWQSSYUXJM-UHFFFAOYSA-M

InChI

InChI=1S/C24H20P.C6H6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1

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Names and synonyms

3 names

Phosphonium, tetraphenyl-, salt with phenol (1:1)
Phosphonium, tetraphenyl-, phenoxide
Tetraphenylphosphonium phenolate

Work with Tetraphenylphosphonium phenoxide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzophenol108-95-2Free acid Phen-2,3,4,5,6-d5-ol-d13127-88-3Free acid, labelled Sodium phenoxide139-02-6Salt Tetraphenylphosphonium chloride2001-45-8Salt Tetraphenylphosphonium iodide2065-67-0Salt Tetraphenylphosphonium bromide2751-90-8Salt Tetraphenylphosphonium tetraphenylborate15525-15-2Salt

Similar compounds

Ethyltriphenylphosphonium bromide1530-32-134 % similar Ethyltriphenylphosphonium iodide4736-60-134 % similar Ethyl(triphenyl)phosphonium chloride896-33-334 % similar Methyltriphenylphosphonium chloride1031-15-833 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-533 % similar Methyltriphenylphosphonium bromide1779-49-333 % similar Methyltriphenylphosphonium iodide2065-66-933 % similar (2-Hydroxybenzyl)triphenylphosphonium bromide70340-04-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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