dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium

C11H14Cl2O2Ru — CID 153434955

IUPACdichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCOc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C11H14O2.2ClH.Ru/c1-8(2)13-11-6-5-10(12-4)7-9(11)3;;;/h3,5-8H,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeySRBGODNXWGDNLW-UHFFFAOYSA-L
MW350.21 g/mol
LogP3.56
Rot. Bonds4

About dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium

dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium (PubChem CID 153434955) has the molecular formula C11H14Cl2O2Ru and a molecular weight of 350.21 g/mol. Its IUPAC name is dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
PubChem CID153434955
Molecular FormulaC11H14Cl2O2Ru
Molecular Weight350.21 g/mol
Exact Mass349.94
IUPAC Namedichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
SMILESCOc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C11H14O2.2ClH.Ru/c1-8(2)13-11-6-5-10(12-4)7-9(11)3;;;/h3,5-8H,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeySRBGODNXWGDNLW-UHFFFAOYSA-L
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
dichloro-[[2,5-di(propan-2-yloxy)phenyl]methylidene]ruthenium;tricyclohexylphosphanium
CID 59117453
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
dichloro-[[5-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 135024694
dichloro-[(5-hydroxy-2-methoxyphenyl)methylidene]ruthenium
CID 139241158
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106
CID 58112670
CID 58112670

Frequently Asked Questions

What is the IUPAC name of dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The IUPAC name of dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium (CID 153434955) is dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium.
What is the SMILES notation for dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The canonical SMILES for dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium is COc1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium?
The InChIKey is SRBGODNXWGDNLW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14O2.2ClH.Ru/c1-8(2)13-11-6-5-10(12-4)7-9(11)3;;;/h3,5-8H,1-2,4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium?
dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium has a molecular weight of 350.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium is sourced from PubChem (CID 153434955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).