[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene

C16H16OSe — CID 71527754

IUPAC[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
SMILESC(=C/[Se]c1ccccc1)\COCc1ccccc1
InChIInChI=1S/C16H16OSe/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1-11,13H,12,14H2/b13-7+
InChIKeyDIODFBWJADMXOD-NTUHNPAUSA-N
MW303.26 g/mol
LogP2.75
Rot. Bonds6

About [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene

[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene (PubChem CID 71527754) has the molecular formula C16H16OSe and a molecular weight of 303.26 g/mol. Its IUPAC name is [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene.

Molecular Properties

Compound Name[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
PubChem CID71527754
Molecular FormulaC16H16OSe
Molecular Weight303.26 g/mol
Exact Mass304.04
IUPAC Name[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene
SMILESC(=C/[Se]c1ccccc1)\COCc1ccccc1
InChIInChI=1S/C16H16OSe/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1-11,13H,12,14H2/b13-7+
InChIKeyDIODFBWJADMXOD-NTUHNPAUSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986
4-phenylmethoxybut-2-enal
CID 56616610
5-phenylmethoxypent-3-enal
CID 54324259
(2R,3E,5E)-1-phenylmethoxy-6-phenylselanylhexa-3,5-dien-2-ol
CID 102403075
3-phenylmethoxyprop-1-enylboronic acid
CID 71358172
(2E,4E)-6-phenylmethoxyhexa-2,4-dienal
CID 101487921
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
(E)-5-phenylmethoxypent-3-en-2-one
CID 11095410

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene?
The IUPAC name of [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene (CID 71527754) is [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene.
What is the SMILES notation for [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene?
The canonical SMILES for [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene is C(=C/[Se]c1ccccc1)\COCc1ccccc1.
What is the InChIKey of [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene?
The InChIKey is DIODFBWJADMXOD-NTUHNPAUSA-N. The full InChI is InChI=1S/C16H16OSe/c1-3-8-15(9-4-1)14-17-12-7-13-18-16-10-5-2-6-11-16/h1-11,13H,12,14H2/b13-7+.
What are the key properties of [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene?
[(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene has a molecular weight of 303.26 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylmethoxyprop-1-enyl]selanylbenzene is sourced from PubChem (CID 71527754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).