dichlororuthenium;1-phenylprop-2-enylbenzene

C15H13Cl2Ru- — CID 175974276

IUPACdichlororuthenium;1-phenylprop-2-enylbenzene
SMILESCl[Ru]Cl.[H]/[C-]=C\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13.2ClH.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h1-12,15H;2*1H;/q-1;;;+2/p-2
InChIKeyGSHCPXVXFFNMCQ-UHFFFAOYSA-L
MW365.25 g/mol
LogP5.18
Rot. Bonds3

About dichlororuthenium;1-phenylprop-2-enylbenzene

dichlororuthenium;1-phenylprop-2-enylbenzene (PubChem CID 175974276) has the molecular formula C15H13Cl2Ru- and a molecular weight of 365.25 g/mol. Its IUPAC name is dichlororuthenium;1-phenylprop-2-enylbenzene.

Molecular Properties

Compound Namedichlororuthenium;1-phenylprop-2-enylbenzene
PubChem CID175974276
Molecular FormulaC15H13Cl2Ru-
Molecular Weight365.25 g/mol
Exact Mass364.94
IUPAC Namedichlororuthenium;1-phenylprop-2-enylbenzene
SMILESCl[Ru]Cl.[H]/[C-]=C\C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13.2ClH.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h1-12,15H;2*1H;/q-1;;;+2/p-2
InChIKeyGSHCPXVXFFNMCQ-UHFFFAOYSA-L
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Chlorobenzyl)silane
CID 23051080
(4-chloro-1-phenylbut-2-enyl)benzene
CID 57017373
dichlororuthenium;tris(tetraphenylphosphanium)
CID 173166250
N-benzhydrylmethanimine
CID 164737969
dichloromethylbenzene
CID 7411
4,5-bis(2,2-diphenylethylidene)oxadiazole
CID 175290942
barium(2+);bis(1,3-diphenylprop-2-enylbenzene)
CID 154250998
4,4-diphenylbut-2-enal
CID 154401916
CID 57277614
CID 57277614
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
dichlororuthenium;phenylphosphane
CID 88728124
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698

Frequently Asked Questions

What is the IUPAC name of dichlororuthenium;1-phenylprop-2-enylbenzene?
The IUPAC name of dichlororuthenium;1-phenylprop-2-enylbenzene (CID 175974276) is dichlororuthenium;1-phenylprop-2-enylbenzene.
What is the SMILES notation for dichlororuthenium;1-phenylprop-2-enylbenzene?
The canonical SMILES for dichlororuthenium;1-phenylprop-2-enylbenzene is Cl[Ru]Cl.[H]/[C-]=C\C(c1ccccc1)c1ccccc1.
What is the InChIKey of dichlororuthenium;1-phenylprop-2-enylbenzene?
The InChIKey is GSHCPXVXFFNMCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H13.2ClH.Ru/c1-2-15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;;;/h1-12,15H;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlororuthenium;1-phenylprop-2-enylbenzene?
dichlororuthenium;1-phenylprop-2-enylbenzene has a molecular weight of 365.25 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlororuthenium;1-phenylprop-2-enylbenzene is sourced from PubChem (CID 175974276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).