chempirical

Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol

C26H32Cl3OPCAS 119345-01-6497.86 g/mol

Open in Covalent MOL file
OHClPClCl
Phenol

Properties

Molecular formula
C26H32Cl3OP
Molar mass
497.86 g/mol
Exact mass
496.1256 Da
logP
10.27Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
119345-01-6
SMILES
CC(C)(C)c1ccc(O)c(C(C)(C)C)c1.ClP(Cl)Cl.c1ccc(-c2ccccc2)cc1
InChIKey
ZFUOUGCLKHYEIY-UHFFFAOYSA-N
InChI
InChI=1S/C14H22O.C12H10.Cl3P/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h7-9,15H,1-6H3;1-10H;

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Work with Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)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

2,4-Di-tert-butylphenol96-76-466 % similar 4-tert-Butylcatechol98-29-347 % similar 2,4-Dicumylphenol2772-45-447 % similar tert-Butylhydroquinone1948-33-045 % similar 2-tert-Butylphenol88-18-645 % similar 4-Bromo-2-tert-butylphenol10323-39-444 % similar 2-tert-Butyl-4-methylphenol2409-55-444 % similar 4-tert-Butyl-2-methylphenol98-27-144 % similar

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

Elsewhere

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