sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene

C20H20F3OS+ — CID 162208171

IUPACsulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.FC(F)F.[SH3+]
InChIInChI=1S/C19H16O.CHF3.H2S/c1-20-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2-1(3)4;/h2-14H,1H3;1H;1H2/p+1
InChIKeyZSMDBQKQAJYKCZ-UHFFFAOYSA-O
MW365.44 g/mol
LogP5.40
Rot. Bonds3

About sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene

sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene (PubChem CID 162208171) has the molecular formula C20H20F3OS+ and a molecular weight of 365.44 g/mol. Its IUPAC name is sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene.

Molecular Properties

Compound Namesulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
PubChem CID162208171
Molecular FormulaC20H20F3OS+
Molecular Weight365.44 g/mol
Exact Mass365.12
IUPAC Namesulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.FC(F)F.[SH3+]
InChIInChI=1S/C19H16O.CHF3.H2S/c1-20-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2-1(3)4;/h2-14H,1H3;1H;1H2/p+1
InChIKeyZSMDBQKQAJYKCZ-UHFFFAOYSA-O
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-methoxy-6-phenylnaphthalene
CID 11253308
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
anisole;1,1'-biphenyl;naphthalene
CID 161250692

Frequently Asked Questions

What is the IUPAC name of sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene?
The IUPAC name of sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene (CID 162208171) is sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene.
What is the SMILES notation for sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene?
The canonical SMILES for sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene is COc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.FC(F)F.[SH3+].
What is the InChIKey of sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene?
The InChIKey is ZSMDBQKQAJYKCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16O.CHF3.H2S/c1-20-19-13-11-18(12-14-19)17-9-7-16(8-10-17)15-5-3-2-4-6-15;2-1(3)4;/h2-14H,1H3;1H;1H2/p+1.
What are the key properties of sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene?
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene has a molecular weight of 365.44 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene is sourced from PubChem (CID 162208171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).