dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium

C17H16Cl2O2Ru — CID 157139251

IUPACdichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
SMILESCC(Oc1ccccc1C=[Ru](Cl)Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C17H16O2.2ClH.Ru/c1-13-8-6-7-11-17(13)19-14(2)16(18)12-15-9-4-3-5-10-15;;;/h1,3-11,14H,12H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyVKLSJMIZLFCEAB-UHFFFAOYSA-L
MW424.29 g/mol
LogP4.34
Rot. Bonds6

About dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium

dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium (PubChem CID 157139251) has the molecular formula C17H16Cl2O2Ru and a molecular weight of 424.29 g/mol. Its IUPAC name is dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
PubChem CID157139251
Molecular FormulaC17H16Cl2O2Ru
Molecular Weight424.29 g/mol
Exact Mass423.96
IUPAC Namedichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium
SMILESCC(Oc1ccccc1C=[Ru](Cl)Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C17H16O2.2ClH.Ru/c1-13-8-6-7-11-17(13)19-14(2)16(18)12-15-9-4-3-5-10-15;;;/h1,3-11,14H,12H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyVKLSJMIZLFCEAB-UHFFFAOYSA-L
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
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CID 59574880
1-benzyl-3-(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153489728
2-(3-oxobutan-2-yloxy)benzaldehyde
CID 23468859
2-methyl-3-oxo-4-phenylbutanenitrile
CID 15914422
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
2-(2-benzyl-4-chlorophenoxy)pentan-3-one
CID 64866316
2,3-dichloro-1,5-diphenylpentane-1,4-dione
CID 90920712
N-[1-(2-formylphenoxy)-2-phenylethyl]acetamide
CID 87535950
(E)-2-benzyl-3-(2-hydroxypropyl)but-2-enedioic acid
CID 141142472
3-(methylamino)-1-phenylbutan-2-one
CID 116564854

Frequently Asked Questions

What is the IUPAC name of dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium (CID 157139251) is dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium is CC(Oc1ccccc1C=[Ru](Cl)Cl)C(=O)Cc1ccccc1.
What is the InChIKey of dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium?
The InChIKey is VKLSJMIZLFCEAB-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H16O2.2ClH.Ru/c1-13-8-6-7-11-17(13)19-14(2)16(18)12-15-9-4-3-5-10-15;;;/h1,3-11,14H,12H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium?
dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium has a molecular weight of 424.29 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-(3-oxo-4-phenylbutan-2-yl)oxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 157139251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).