acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium

C32H28O6Rh — CID 90659416

IUPACacetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium
SMILESCC(=O)O.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/2C15H12O2.C2H4O2.Rh/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/b2*14-11-;;
InChIKeyLJPZVEJSLNNIIB-IWSPYOOBSA-N
MW611.48 g/mol
LogP7.03
Rot. Bonds6

About acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium

acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium (PubChem CID 90659416) has the molecular formula C32H28O6Rh and a molecular weight of 611.48 g/mol. Its IUPAC name is acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium.

Molecular Properties

Compound Nameacetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium
PubChem CID90659416
Molecular FormulaC32H28O6Rh
Molecular Weight611.48 g/mol
Exact Mass611.09
IUPAC Nameacetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium
SMILESCC(=O)O.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Rh]
InChIInChI=1S/2C15H12O2.C2H4O2.Rh/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/b2*14-11-;;
InChIKeyLJPZVEJSLNNIIB-IWSPYOOBSA-N
XLogP7.03
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.48
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium?
The IUPAC name of acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium (CID 90659416) is acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium.
What is the SMILES notation for acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium?
The canonical SMILES for acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium is CC(=O)O.O=C(/C=C(\O)c1ccccc1)c1ccccc1.O=C(/C=C(\O)c1ccccc1)c1ccccc1.[Rh].
What is the InChIKey of acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium?
The InChIKey is LJPZVEJSLNNIIB-IWSPYOOBSA-N. The full InChI is InChI=1S/2C15H12O2.C2H4O2.Rh/c2*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-2(3)4;/h2*1-11,16H;1H3,(H,3,4);/b2*14-11-;;.
What are the key properties of acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium?
acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium has a molecular weight of 611.48 g/mol, XLogP of 7.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);rhodium is sourced from PubChem (CID 90659416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).