[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium

C33H30O8Y-2 — CID 59270983

About [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium

[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium (PubChem CID 59270983) has the molecular formula C33H30O8Y-2 and a molecular weight of 643.50 g/mol. Its IUPAC name is [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium.

Molecular Properties

• Compound Name: [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium
• PubChem CID: 59270983
• Molecular Formula: C33H30O8Y-2
• Molecular Weight: 643.50 g/mol
• Exact Mass: 643.10
• IUPAC Name: [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium
• SMILES: CC(O)COc1ccc(C2(c3ccc(OCC(O)CO[C-]=O)cc3)c3ccccc3-c3ccccc32)cc1.O=[C-]O.[Y]
• InChI: InChI=1S/C32H29O6.CHO2.Y/c1-22(34)18-37-26-14-10-23(11-15-26)32(24-12-16-27(17-13-24)38-20-25(35)19-36-21-33)30-8-4-2-6-28(30)29-7-3-5-9-31(29)32;2-1-3;/h2-17,22,25,34-35H,18-20H2,1H3;(H,2,3);/q2*-1
• InChIKey: WMIPMDZOCXGXGH-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 122.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.50
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium?

The IUPAC name of [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium (CID 59270983) is [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium.

What is the SMILES notation for [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium?

The canonical SMILES for [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium is CC(O)COc1ccc(C2(c3ccc(OCC(O)CO[C-]=O)cc3)c3ccccc3-c3ccccc32)cc1.O=[C-]O.[Y].

What is the InChIKey of [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium?

The InChIKey is WMIPMDZOCXGXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29O6.CHO2.Y/c1-22(34)18-37-26-14-10-23(11-15-26)32(24-12-16-27(17-13-24)38-20-25(35)19-36-21-33)30-8-4-2-6-28(30)29-7-3-5-9-31(29)32;2-1-3;/h2-17,22,25,34-35H,18-20H2,1H3;(H,2,3);/q2*-1;.

What are the key properties of [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium?

[2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium has a molecular weight of 643.50 g/mol, XLogP of 4.24, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-3-[4-[9-[4-(2-hydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]propoxy]methanone;hydroxymethanone;yttrium is sourced from PubChem (CID 59270983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).