1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium

C21H17O2PRh — CID 175984938

IUPAC1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
SMILESCC(=O)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/C21H17O2P.Rh/c1-16(22)21(23)19-14-8-9-15-20(19)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-15H,1H3;
InChIKeyWTNMJMOZNIMMKO-UHFFFAOYSA-N
MW435.25 g/mol
LogP3.21
Rot. Bonds5

About 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium

1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium (PubChem CID 175984938) has the molecular formula C21H17O2PRh and a molecular weight of 435.25 g/mol. Its IUPAC name is 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium.

Molecular Properties

Compound Name1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
PubChem CID175984938
Molecular FormulaC21H17O2PRh
Molecular Weight435.25 g/mol
Exact Mass435.00
IUPAC Name1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
SMILESCC(=O)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/C21H17O2P.Rh/c1-16(22)21(23)19-14-8-9-15-20(19)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-15H,1H3;
InChIKeyWTNMJMOZNIMMKO-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
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1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
propan-2-one;triphenylphosphane;hydrate
CID 118484852
1-(2-diphenylphosphanylphenyl)ethanimine
CID 139968166
[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
CID 88589569
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
copper(1+);tris(triphenylphosphane);acetate
CID 56954258

Frequently Asked Questions

What is the IUPAC name of 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium?
The IUPAC name of 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium (CID 175984938) is 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium.
What is the SMILES notation for 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium?
The canonical SMILES for 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium is CC(=O)C(=O)c1ccccc1P(c1ccccc1)c1ccccc1.[Rh].
What is the InChIKey of 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium?
The InChIKey is WTNMJMOZNIMMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17O2P.Rh/c1-16(22)21(23)19-14-8-9-15-20(19)24(17-10-4-2-5-11-17)18-12-6-3-7-13-18;/h2-15H,1H3;.
What are the key properties of 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium?
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium has a molecular weight of 435.25 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium is sourced from PubChem (CID 175984938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).