(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol

C18H16Cl4O2Se — CID 134835230

IUPAC(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol
SMILESOC/C(=C(/Cl)c1ccccc1)[Se](Cl)(Cl)/C(CO)=C(/Cl)c1ccccc1
InChIInChI=1S/C18H16Cl4O2Se/c19-17(13-7-3-1-4-8-13)15(11-23)25(21,22)16(12-24)18(20)14-9-5-2-6-10-14/h1-10,23-24H,11-12H2/b17-15-,18-16+
InChIKeyAQFSIKMMROVKOT-JRDMOELTSA-N
MW485.10 g/mol
LogP5.27
Rot. Bonds6

About (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol

(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol (PubChem CID 134835230) has the molecular formula C18H16Cl4O2Se and a molecular weight of 485.10 g/mol. Its IUPAC name is (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol
PubChem CID134835230
Molecular FormulaC18H16Cl4O2Se
Molecular Weight485.10 g/mol
Exact Mass483.91
IUPAC Name(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol
SMILESOC/C(=C(/Cl)c1ccccc1)[Se](Cl)(Cl)/C(CO)=C(/Cl)c1ccccc1
InChIInChI=1S/C18H16Cl4O2Se/c19-17(13-7-3-1-4-8-13)15(11-23)25(21,22)16(12-24)18(20)14-9-5-2-6-10-14/h1-10,23-24H,11-12H2/b17-15-,18-16+
InChIKeyAQFSIKMMROVKOT-JRDMOELTSA-N
XLogP5.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.10
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-1-chloro-2-iodo-2-phenylethenyl]benzene
CID 12555898
(2,2-dibromo-1-chloroethenyl)benzene
CID 154173711
benzoic acid;2-chloroethanol
CID 86108582
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317
benzoic acid;benzoyl chloride
CID 87427055
2-bromo-3-chloro-2-(chloromethyl)-1-phenylpropan-1-one
CID 66791074
[(E)-1,2-dichloro-2-ethylselanylethenyl]benzene
CID 10588787
CID 87090637
CID 87090637
CID 87293530
CID 87293530
cyclodecapentaenecarboxylic acid;methane
CID 162272407
benzoic acid;chromium
CID 139063467
benzoic acid;trihydrate
CID 157398339

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol?
The IUPAC name of (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol (CID 134835230) is (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol?
The canonical SMILES for (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol is OC/C(=C(/Cl)c1ccccc1)[Se](Cl)(Cl)/C(CO)=C(/Cl)c1ccccc1.
What is the InChIKey of (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol?
The InChIKey is AQFSIKMMROVKOT-JRDMOELTSA-N. The full InChI is InChI=1S/C18H16Cl4O2Se/c19-17(13-7-3-1-4-8-13)15(11-23)25(21,22)16(12-24)18(20)14-9-5-2-6-10-14/h1-10,23-24H,11-12H2/b17-15-,18-16+.
What are the key properties of (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol?
(Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol has a molecular weight of 485.10 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-[dichloro-[(E)-1-chloro-3-hydroxy-1-phenylprop-1-en-2-yl]-λ4-selanyl]-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 134835230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).