1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron

C14H15F6OSb — CID 158050824

IUPAC1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
SMILESCOc1ccc(Cc2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C14H14O.6FH.Sb/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;;;;;;;/h2-10H,11H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyFJLOZVXBDJKWAR-UHFFFAOYSA-I
MW435.02 g/mol
LogP5.54
Rot. Bonds3

About 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron

1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron (PubChem CID 158050824) has the molecular formula C14H15F6OSb and a molecular weight of 435.02 g/mol. Its IUPAC name is 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron.

Molecular Properties

Compound Name1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
PubChem CID158050824
Molecular FormulaC14H15F6OSb
Molecular Weight435.02 g/mol
Exact Mass434.01
IUPAC Name1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
SMILESCOc1ccc(Cc2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C14H14O.6FH.Sb/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;;;;;;;/h2-10H,11H2,1H3;6*1H;/q;;;;;;;+5/p-5
InChIKeyFJLOZVXBDJKWAR-UHFFFAOYSA-I
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.02
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
1-benzyl-4-methoxybenzene;1,1'-biphenyl;ethane;propane;toluene
CID 153349998
bromomethylbenzene;1-(bromomethyl)-4-methoxybenzene
CID 70390972
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
benzylbenzene;methoxymethane
CID 161110966
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
benzylbenzene;ethane;methoxymethane
CID 159187560
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron?
The IUPAC name of 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron (CID 158050824) is 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron.
What is the SMILES notation for 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron?
The canonical SMILES for 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron is COc1ccc(Cc2ccccc2)cc1.F[Sb-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron?
The InChIKey is FJLOZVXBDJKWAR-UHFFFAOYSA-I. The full InChI is InChI=1S/C14H14O.6FH.Sb/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;;;;;;;/h2-10H,11H2,1H3;6*1H;/q;;;;;;;+5/p-5.
What are the key properties of 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron?
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron has a molecular weight of 435.02 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron is sourced from PubChem (CID 158050824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).