2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol

C32H32O6 — CID 71003793

About 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol

2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol (PubChem CID 71003793) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol.

Molecular Properties

• Compound Name: 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol
• PubChem CID: 71003793
• Molecular Formula: C32H32O6
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.22
• IUPAC Name: 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol
• SMILES: OCC(O)COc1ccc(C2(c3ccc(OCC(CO)CO)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C32H32O6/c33-17-22(18-34)20-37-26-13-9-23(10-14-26)32(24-11-15-27(16-12-24)38-21-25(36)19-35)30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-16,22,25,33-36H,17-21H2
• InChIKey: XLRMRQFRCPGOBD-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 99.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.60
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol?

The IUPAC name of 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol (CID 71003793) is 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol.

What is the SMILES notation for 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol?

The canonical SMILES for 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol is OCC(O)COc1ccc(C2(c3ccc(OCC(CO)CO)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol?

The InChIKey is XLRMRQFRCPGOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c33-17-22(18-34)20-37-26-13-9-23(10-14-26)32(24-11-15-27(16-12-24)38-21-25(36)19-35)30-7-3-1-5-28(30)29-6-2-4-8-31(29)32/h1-16,22,25,33-36H,17-21H2.

What are the key properties of 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol?

2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol has a molecular weight of 512.60 g/mol, XLogP of 3.76, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[9-[4-(2,3-dihydroxypropoxy)phenyl]fluoren-9-yl]phenoxy]methyl]propane-1,3-diol is sourced from PubChem (CID 71003793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).