(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)

C10H8O2U — CID 59968847

IUPAC(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)
SMILES[CH2-]C(=O)/C(=C\O)c1[c-]cccc1.[U+2]
InChIInChI=1S/C10H8O2.U/c1-8(12)10(7-11)9-5-3-2-4-6-9;/h2-5,7,11H,1H2;/q-2;+2/b10-7+;
InChIKeyXFOTYUHMMYGJNF-HCUGZAAXSA-N
MW398.20 g/mol
LogP1.79
Rot. Bonds2

About (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)

(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+) (PubChem CID 59968847) has the molecular formula C10H8O2U and a molecular weight of 398.20 g/mol. Its IUPAC name is (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+).

Molecular Properties

Compound Name(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)
PubChem CID59968847
Molecular FormulaC10H8O2U
Molecular Weight398.20 g/mol
Exact Mass398.10
IUPAC Name(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)
SMILES[CH2-]C(=O)/C(=C\O)c1[c-]cccc1.[U+2]
InChIInChI=1S/C10H8O2.U/c1-8(12)10(7-11)9-5-3-2-4-6-9;/h2-5,7,11H,1H2;/q-2;+2/b10-7+;
InChIKeyXFOTYUHMMYGJNF-HCUGZAAXSA-N
XLogP1.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)?
The IUPAC name of (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+) (CID 59968847) is (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+).
What is the SMILES notation for (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)?
The canonical SMILES for (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+) is [CH2-]C(=O)/C(=C\O)c1[c-]cccc1.[U+2].
What is the InChIKey of (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)?
The InChIKey is XFOTYUHMMYGJNF-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H8O2.U/c1-8(12)10(7-11)9-5-3-2-4-6-9;/h2-5,7,11H,1H2;/q-2;+2/b10-7+;.
What are the key properties of (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+)?
(Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+) has a molecular weight of 398.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-3-phenylbut-3-en-2-one;uranium(2+) is sourced from PubChem (CID 59968847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).