carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium

C12H10O4Rh — CID 135473696

IUPACcarbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium
SMILESC/C(O)=C/C(=O)c1ccccc1.[C-]#[O+].[C-]#[O+].[Rh]
InChIInChI=1S/C10H10O2.2CO.Rh/c1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2;/h2-7,11H,1H3;;;/b8-7-;;;
InChIKeyBHAHPYGNTXHCSR-IRYVOTIRSA-N
MW321.11 g/mol
LogP2.25
Rot. Bonds2

About carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium

carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium (PubChem CID 135473696) has the molecular formula C12H10O4Rh and a molecular weight of 321.11 g/mol. Its IUPAC name is carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium.

Molecular Properties

Compound Namecarbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium
PubChem CID135473696
Molecular FormulaC12H10O4Rh
Molecular Weight321.11 g/mol
Exact Mass320.96
IUPAC Namecarbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium
SMILESC/C(O)=C/C(=O)c1ccccc1.[C-]#[O+].[C-]#[O+].[Rh]
InChIInChI=1S/C10H10O2.2CO.Rh/c1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2;/h2-7,11H,1H3;;;/b8-7-;;;
InChIKeyBHAHPYGNTXHCSR-IRYVOTIRSA-N
XLogP2.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium?
The IUPAC name of carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium (CID 135473696) is carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium.
What is the SMILES notation for carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium?
The canonical SMILES for carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium is C/C(O)=C/C(=O)c1ccccc1.[C-]#[O+].[C-]#[O+].[Rh].
What is the InChIKey of carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium?
The InChIKey is BHAHPYGNTXHCSR-IRYVOTIRSA-N. The full InChI is InChI=1S/C10H10O2.2CO.Rh/c1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2;/h2-7,11H,1H3;;;/b8-7-;;;.
What are the key properties of carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium?
carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium has a molecular weight of 321.11 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(Z)-3-hydroxy-1-phenylbut-2-en-1-one;rhodium is sourced from PubChem (CID 135473696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).