4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol

C16H16OSSe — CID 71443728

IUPAC4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
SMILESOCCC(=C[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OSSe/c17-12-11-15(18-14-7-3-1-4-8-14)13-19-16-9-5-2-6-10-16/h1-10,13,17H,11-12H2
InChIKeyJHFVARACDRHCBV-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.03
Rot. Bonds6

About 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol

4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol (PubChem CID 71443728) has the molecular formula C16H16OSSe and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol.

Molecular Properties

Compound Name4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
PubChem CID71443728
Molecular FormulaC16H16OSSe
Molecular Weight335.33 g/mol
Exact Mass336.01
IUPAC Name4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol
SMILESOCCC(=C[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H16OSSe/c17-12-11-15(18-14-7-3-1-4-8-14)13-19-16-9-5-2-6-10-16/h1-10,13,17H,11-12H2
InChIKeyJHFVARACDRHCBV-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-6-phenylselanyl-5-phenylsulfanylhex-5-enyl] acetate
CID 11350249
tert-butyl-dimethyl-[(Z)-6-phenylselanyl-5-phenylsulfanylhex-5-enoxy]silane
CID 11374991
(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol
CID 102303025
2-phenylselanylethene-1,1-diol
CID 11790922
[(1Z,6Z)-1,6,7-tris(phenylsulfanyl)hepta-1,6-dien-2-yl]sulfanylbenzene
CID 11364539
[(Z)-hex-3-en-3-yl]sulfanylbenzene
CID 14935081
[(Z)-2-fluoro-1-phenylselanylethenyl]sulfanylbenzene
CID 134932276
(E)-3-phenylselanylprop-2-en-1-ol
CID 12609551
(Z)-5-phenylsulfanyl-6-thiophen-2-ylhex-5-en-1-ol
CID 11415071
N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
CID 5246314
[(E)-2-phenylselanylethenyl]sulfanylbenzene
CID 13334237
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686

Frequently Asked Questions

What is the IUPAC name of 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol?
The IUPAC name of 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol (CID 71443728) is 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol.
What is the SMILES notation for 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol?
The canonical SMILES for 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol is OCCC(=C[Se]c1ccccc1)Sc1ccccc1.
What is the InChIKey of 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol?
The InChIKey is JHFVARACDRHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OSSe/c17-12-11-15(18-14-7-3-1-4-8-14)13-19-16-9-5-2-6-10-16/h1-10,13,17H,11-12H2.
What are the key properties of 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol?
4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol has a molecular weight of 335.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylselanyl-3-phenylsulfanylbut-3-en-1-ol is sourced from PubChem (CID 71443728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).