acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium

C42H40O6P2Ru — CID 10865680

IUPACacetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
SMILESCC(=O)O.CC(=O)O.COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.[Ru]
InChIInChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);
InChIKeyQJRNYRFOOFMZOH-UHFFFAOYSA-N
MW803.79 g/mol
LogP7.07
Rot. Bonds9

About acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium

acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium (PubChem CID 10865680) has the molecular formula C42H40O6P2Ru and a molecular weight of 803.79 g/mol. Its IUPAC name is acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium.

Molecular Properties

Compound Nameacetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
PubChem CID10865680
Molecular FormulaC42H40O6P2Ru
Molecular Weight803.79 g/mol
Exact Mass804.13
IUPAC Nameacetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
SMILESCC(=O)O.CC(=O)O.COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.[Ru]
InChIInChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);
InChIKeyQJRNYRFOOFMZOH-UHFFFAOYSA-N
XLogP7.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.79
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
acetic acid;carbon monoxide;ruthenium;bis(triphenylphosphane)
CID 11967474
[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
CID 71713664
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
(2,6-dimethoxyphenyl)-diphenylphosphanylmethanone;hydrate
CID 172856957
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
[3-diphenylphosphanyl-2-(2-diphenylphosphanyl-6-methylphenyl)phenyl] N-butylcarbamate
CID 177467649
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
propan-2-one;triphenylphosphane;hydrate
CID 118484852

Frequently Asked Questions

What is the IUPAC name of acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium?
The IUPAC name of acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium (CID 10865680) is acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium.
What is the SMILES notation for acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium?
The canonical SMILES for acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium is CC(=O)O.CC(=O)O.COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.[Ru].
What is the InChIKey of acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium?
The InChIKey is QJRNYRFOOFMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2P2.2C2H4O2.Ru/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*1-2(3)4;/h3-28H,1-2H3;2*1H3,(H,3,4);.
What are the key properties of acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium?
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium has a molecular weight of 803.79 g/mol, XLogP of 7.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium is sourced from PubChem (CID 10865680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).