(5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)

C31H35NO2U — CID 163585160

About (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)

(5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+) (PubChem CID 163585160) has the molecular formula C31H35NO2U and a molecular weight of 691.66 g/mol. Its IUPAC name is (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+).

Molecular Properties

• Compound Name: (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)
• PubChem CID: 163585160
• Molecular Formula: C31H35NO2U
• Molecular Weight: 691.66 g/mol
• Exact Mass: 691.32
• IUPAC Name: (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)
• SMILES: Oc1ccc2c(c1)CCC(c1ccccc1)[C@@H]2c1ccc(OC2C[CH-]C2)cc1.[CH-]1CCNCC1.[U+2]
• InChI: InChI=1S/C26H25O2.C5H10N.U/c27-21-12-16-25-20(17-21)11-15-24(18-5-2-1-3-6-18)26(25)19-9-13-23(14-10-19)28-22-7-4-8-22;1-2-4-6-5-3-1;/h1-6,9-10,12-14,16-17,22,24,26-27H,7-8,11,15H2;1,6H,2-5H2;/q2*-1;+2/t24?,26-;;/m0../s1
• InChIKey: KVCVJNYXGSWAAA-RXCAMRGOSA-N
• XLogP: 6.57
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.66
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)?

The IUPAC name of (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+) (CID 163585160) is (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+).

What is the SMILES notation for (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)?

The canonical SMILES for (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+) is Oc1ccc2c(c1)CCC(c1ccccc1)[C@@H]2c1ccc(OC2C[CH-]C2)cc1.[CH-]1CCNCC1.[U+2].

What is the InChIKey of (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)?

The InChIKey is KVCVJNYXGSWAAA-RXCAMRGOSA-N. The full InChI is InChI=1S/C26H25O2.C5H10N.U/c27-21-12-16-25-20(17-21)11-15-24(18-5-2-1-3-6-18)26(25)19-9-13-23(14-10-19)28-22-7-4-8-22;1-2-4-6-5-3-1;/h1-6,9-10,12-14,16-17,22,24,26-27H,7-8,11,15H2;1,6H,2-5H2;/q2*-1;+2/t24?,26-;;/m0../s1.

What are the key properties of (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+)?

(5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+) has a molecular weight of 691.66 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(4-cyclobutyloxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;piperidin-4-ide;uranium(2+) is sourced from PubChem (CID 163585160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).