(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid

C15H16F3O4PS — CID 162621456

IUPAC(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid
SMILESCOc1ccc(CPc2ccccc2)cc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H15OP.CHF3O3S/c1-15-13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14;2-1(3,4)8(5,6)7/h2-10,16H,11H2,1H3;(H,5,6,7)
InChIKeyQWLWFHFGDWHYOG-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.59
Rot. Bonds4

About (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid

(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid (PubChem CID 162621456) has the molecular formula C15H16F3O4PS and a molecular weight of 380.32 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid
PubChem CID162621456
Molecular FormulaC15H16F3O4PS
Molecular Weight380.32 g/mol
Exact Mass380.05
IUPAC Name(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid
SMILESCOc1ccc(CPc2ccccc2)cc1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C14H15OP.CHF3O3S/c1-15-13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14;2-1(3,4)8(5,6)7/h2-10,16H,11H2,1H3;(H,5,6,7)
InChIKeyQWLWFHFGDWHYOG-UHFFFAOYSA-N
XLogP3.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-methylbenzenesulfonic acid;(4-methoxyphenyl)methyl-phenylphosphane
CID 173398080
(4-methoxyphenyl)methyl-diphenylsulfanium;trifluoromethanesulfonate
CID 161364484
N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
anisole;azane;osmium(2+);bis(trifluoromethanesulfonate)
CID 11104386
(4-decoxyphenyl)-phenylphosphane;trifluoromethanesulfonic acid
CID 162622791
anisole;molecular nitrogen;sulfuric acid
CID 174681459
iodobenzene;(4-methoxyphenyl) trifluoromethanesulfonate
CID 87453679
1-(benzenesulfonylsulfonylmethyl)-4-methoxybenzene
CID 67568906
1-methoxy-4-[2-(trichloromethyl)phenyl]benzene;trifluoromethanesulfonic acid
CID 160642403
CID 11441475
CID 11441475
N-benzyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 125115855
anisole;2,2,2-trifluoroacetic acid
CID 66633105

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid?
The IUPAC name of (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid (CID 162621456) is (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid.
What is the SMILES notation for (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid?
The canonical SMILES for (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid is COc1ccc(CPc2ccccc2)cc1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid?
The InChIKey is QWLWFHFGDWHYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OP.CHF3O3S/c1-15-13-9-7-12(8-10-13)11-16-14-5-3-2-4-6-14;2-1(3,4)8(5,6)7/h2-10,16H,11H2,1H3;(H,5,6,7).
What are the key properties of (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid?
(4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid has a molecular weight of 380.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-phenylphosphane;trifluoromethanesulfonic acid is sourced from PubChem (CID 162621456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).