[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene

C16H16OSSe — CID 132507900

IUPAC[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
SMILESCOC/C(=C/[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OSSe/c1-17-12-15(18-14-8-4-2-5-9-14)13-19-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-
InChIKeyKWMFLFHJHJGVGM-SQFISAMPSA-N
MW335.33 g/mol
LogP3.30
Rot. Bonds6

About [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene

[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene (PubChem CID 132507900) has the molecular formula C16H16OSSe and a molecular weight of 335.33 g/mol. Its IUPAC name is [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
PubChem CID132507900
Molecular FormulaC16H16OSSe
Molecular Weight335.33 g/mol
Exact Mass336.01
IUPAC Name[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
SMILESCOC/C(=C/[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OSSe/c1-17-12-15(18-14-8-4-2-5-9-14)13-19-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-
InChIKeyKWMFLFHJHJGVGM-SQFISAMPSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-methoxybut-2-enyl]sulfanylbenzene
CID 177930234
5-Ethenyl-6-ethoxy-6-fluoro-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628612
(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol
CID 57407514
(Z)-2-methyl-4-phenylselanyl-3-phenylsulfanylbut-3-en-2-ol
CID 132507899
tributyl-[(E)-3-methoxy-1-phenylsulfanylprop-1-enyl]stannane
CID 11975278
Benzene, [(2-methoxy-1-methylene-2-propenyl)thio]-
CID 12291781
(2-Methoxy-1-phenylsulfanylbut-3-enyl)sulfanylbenzene
CID 12308498
2-Methoxy-1,3-bis(phenylsulfanyl)-propane
CID 12836419
2,2,5,5-Tetramethyl-3,4-bis(phenylsulfanyl)furan
CID 13171794
2-Phenylselanylpropan-2-ylsulfanylbenzene
CID 14295215
Azanylidyne-diphenyl-propoxy-lambda6-sulfane
CID 15688898
(4-Ethoxy-1-phenylsulfanylbuta-1,3-dien-2-yl)sulfanylbenzene
CID 72751749

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene?
The IUPAC name of [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene (CID 132507900) is [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene is COC/C(=C/[Se]c1ccccc1)Sc1ccccc1.
What is the InChIKey of [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene?
The InChIKey is KWMFLFHJHJGVGM-SQFISAMPSA-N. The full InChI is InChI=1S/C16H16OSSe/c1-17-12-15(18-14-8-4-2-5-9-14)13-19-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3/b15-13-.
What are the key properties of [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene?
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene has a molecular weight of 335.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 132507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).