(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol

C15H14OSSe — CID 57407514

IUPAC(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol
SMILESOC/C(=C/[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14OSSe/c16-11-14(17-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,12,16H,11H2/b14-12-
InChIKeyDNBOIBCYZDUUOY-OWBHPGMISA-N
MW321.30 g/mol
LogP2.64
Rot. Bonds5

About (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol

(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol (PubChem CID 57407514) has the molecular formula C15H14OSSe and a molecular weight of 321.30 g/mol. Its IUPAC name is (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol
PubChem CID57407514
Molecular FormulaC15H14OSSe
Molecular Weight321.30 g/mol
Exact Mass321.99
IUPAC Name(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol
SMILESOC/C(=C/[Se]c1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H14OSSe/c16-11-14(17-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,12,16H,11H2/b14-12-
InChIKeyDNBOIBCYZDUUOY-OWBHPGMISA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.64
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

2-(Phenylthio)ethanol
CID 69685
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(Phenylthio)-2,2-difluoroethanol
CID 51033051
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
3-(2-Fluorophenyl)sulfanylbut-3-en-2-ol
CID 155930877
2-Buten-1-ol, 3-methyl-4-(phenylthio)-, (E)-
CID 5367886
(Z)-2,3-bis(phenylsulfanyl)prop-2-en-1-ol
CID 11173397
4-Phenylthio-3-methylbut-2z-en-1-ol
CID 13380387
3-(Phenylsulfanyl)-4-penten-1-OL
CID 14141654
[(Z)-3-methoxy-1-phenylselanylprop-1-en-2-yl]sulfanylbenzene
CID 132507900
(2E)-4-(Phenylsulfanyl)but-2-en-1-ol
CID 5882534

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol?
The IUPAC name of (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol (CID 57407514) is (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol is OC/C(=C/[Se]c1ccccc1)Sc1ccccc1.
What is the InChIKey of (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol?
The InChIKey is DNBOIBCYZDUUOY-OWBHPGMISA-N. The full InChI is InChI=1S/C15H14OSSe/c16-11-14(17-13-7-3-1-4-8-13)12-18-15-9-5-2-6-10-15/h1-10,12,16H,11H2/b14-12-.
What are the key properties of (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol?
(Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol has a molecular weight of 321.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenylselanyl-2-phenylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 57407514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).