dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium

C18H21Cl2O3PRu — CID 59154106

IUPACdichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCCOP(=O)(c1ccccc1)c1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C18H21O3P.2ClH.Ru/c1-5-20-22(19,16-9-7-6-8-10-16)17-11-12-18(15(4)13-17)21-14(2)3;;;/h4,6-14H,5H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeySXNFSVKMDOMXHK-UHFFFAOYSA-L
MW488.31 g/mol
LogP4.82
Rot. Bonds7

About dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium

dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium (PubChem CID 59154106) has the molecular formula C18H21Cl2O3PRu and a molecular weight of 488.31 g/mol. Its IUPAC name is dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
PubChem CID59154106
Molecular FormulaC18H21Cl2O3PRu
Molecular Weight488.31 g/mol
Exact Mass487.96
IUPAC Namedichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
SMILESCCOP(=O)(c1ccccc1)c1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1
InChIInChI=1S/C18H21O3P.2ClH.Ru/c1-5-20-22(19,16-9-7-6-8-10-16)17-11-12-18(15(4)13-17)21-14(2)3;;;/h4,6-14H,5H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeySXNFSVKMDOMXHK-UHFFFAOYSA-L
XLogP4.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-4-[ethoxy-(4-methoxyphenyl)phosphoryl]-1-propan-2-yloxybenzene
CID 66742321
carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
dichloro-[[5-[(2-ethoxy-2-oxoacetyl)amino]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59273360
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756
methyl 3-[ethoxy(phenyl)phosphoryl]benzoate
CID 135065720
dichloro-[[2-propan-2-yloxy-5-(3,3,4,4-tetrafluoro-2,5-dioxopyrrolidin-1-yl)phenyl]methylidene]ruthenium
CID 59273370
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
dichloro-[[2-propan-2-yloxy-5-[(3,3,3-trifluoro-2-oxopropanoyl)amino]phenyl]methylidene]ruthenium
CID 59273372

Frequently Asked Questions

What is the IUPAC name of dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium (CID 59154106) is dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium is CCOP(=O)(c1ccccc1)c1ccc(OC(C)C)c(C=[Ru](Cl)Cl)c1.
What is the InChIKey of dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
The InChIKey is SXNFSVKMDOMXHK-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H21O3P.2ClH.Ru/c1-5-20-22(19,16-9-7-6-8-10-16)17-11-12-18(15(4)13-17)21-14(2)3;;;/h4,6-14H,5H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium?
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium has a molecular weight of 488.31 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium is sourced from PubChem (CID 59154106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).