4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol

C28H24F3O2P — CID 177441543

IUPAC4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol
SMILESCc1cc(C(c2ccccc2)(C(F)(F)F)P(=O)(c2ccccc2)c2ccccc2)cc(C)c1O
InChIInChI=1S/C28H24F3O2P/c1-20-18-23(19-21(2)26(20)32)27(28(29,30)31,22-12-6-3-7-13-22)34(33,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,32H,1-2H3
InChIKeyFNBMUMWNUOOYMZ-UHFFFAOYSA-N
MW480.47 g/mol
LogP6.83
Rot. Bonds5

About 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol

4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol (PubChem CID 177441543) has the molecular formula C28H24F3O2P and a molecular weight of 480.47 g/mol. Its IUPAC name is 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol
PubChem CID177441543
Molecular FormulaC28H24F3O2P
Molecular Weight480.47 g/mol
Exact Mass480.15
IUPAC Name4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol
SMILESCc1cc(C(c2ccccc2)(C(F)(F)F)P(=O)(c2ccccc2)c2ccccc2)cc(C)c1O
InChIInChI=1S/C28H24F3O2P/c1-20-18-23(19-21(2)26(20)32)27(28(29,30)31,22-12-6-3-7-13-22)34(33,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,32H,1-2H3
InChIKeyFNBMUMWNUOOYMZ-UHFFFAOYSA-N
XLogP6.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.47
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
CID 20520008
4-[1-(3-ethyl-4-hydroxy-5-methylphenyl)-2,2,2-trifluoro-1-phenylethyl]-2,6-dimethylphenol
CID 155931325
1-diphenylphosphoryl-1-phenylethanol
CID 155934602
4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2,6-dimethylphenol
CID 121234611
2,6-dimethyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol
CID 141280723
(1,1,2,2-tetraphenyl-2-phosphonoethyl)phosphonic acid
CID 23199837
2-[tert-butyl(phenyl)phosphoryl]phenol
CID 127258156
(4-hydroxy-3,5-dimethylphenyl)phosphonic acid
CID 70930655
2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenol
CID 87143094
4-anilino-2,6-dimethylphenol
CID 25129480
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
CID 58676222

Frequently Asked Questions

What is the IUPAC name of 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol?
The IUPAC name of 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol (CID 177441543) is 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol is Cc1cc(C(c2ccccc2)(C(F)(F)F)P(=O)(c2ccccc2)c2ccccc2)cc(C)c1O.
What is the InChIKey of 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol?
The InChIKey is FNBMUMWNUOOYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3O2P/c1-20-18-23(19-21(2)26(20)32)27(28(29,30)31,22-12-6-3-7-13-22)34(33,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-19,32H,1-2H3.
What are the key properties of 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol?
4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol has a molecular weight of 480.47 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol is sourced from PubChem (CID 177441543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).