diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium

C21H19OS+ — CID 140816196

IUPACdiphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
SMILESC/C=C/Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19OS/c1-2-17-22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-17H,1H3/q+1/b17-2+
InChIKeyHXBRAZUBZHHYEK-LAZPYJJCSA-N
MW319.45 g/mol
LogP5.69
Rot. Bonds5

About diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium

diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium (PubChem CID 140816196) has the molecular formula C21H19OS+ and a molecular weight of 319.45 g/mol. Its IUPAC name is diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
PubChem CID140816196
Molecular FormulaC21H19OS+
Molecular Weight319.45 g/mol
Exact Mass319.12
IUPAC Namediphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
SMILESC/C=C/Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19OS/c1-2-17-22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-17H,1H3/q+1/b17-2+
InChIKeyHXBRAZUBZHHYEK-LAZPYJJCSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(4-acetyloxyphenyl)-diphenylsulfanium;diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium
CID 167628772
[(E)-prop-1-enoxy]benzene;zinc;chloride
CID 101206990
[4-[(E)-2-methylbut-2-enoyl]oxyphenyl]-diphenylsulfanium
CID 167388328
1-tert-butyl-4-[(E)-prop-1-enoxy]benzene
CID 641282
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
CID 143684378
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
1-ethoxy-4-[(Z)-prop-1-enoxy]benzene
CID 101144110
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
[4-(3-methylbut-2-enoyloxy)phenyl]-diphenylsulfanium
CID 167388470
1-prop-1-enoxy-4-propylbenzene
CID 172744984
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
[4-(2,2-dimethylpropoxy)phenyl]-diphenylsulfanium
CID 160615561

Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium?
The IUPAC name of diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium (CID 140816196) is diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium.
What is the SMILES notation for diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium?
The canonical SMILES for diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium is C/C=C/Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium?
The InChIKey is HXBRAZUBZHHYEK-LAZPYJJCSA-N. The full InChI is InChI=1S/C21H19OS/c1-2-17-22-18-13-15-21(16-14-18)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h2-17H,1H3/q+1/b17-2+.
What are the key properties of diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium?
diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium has a molecular weight of 319.45 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-[(E)-prop-1-enoxy]phenyl]sulfanium is sourced from PubChem (CID 140816196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).