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

C32H32O6 — CID 71003810

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

3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol (PubChem CID 71003810) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
• PubChem CID: 71003810
• Molecular Formula: C32H32O6
• Molecular Weight: 512.60 g/mol
• Exact Mass: 512.22
• IUPAC Name: 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
• SMILES: COCC(O)COc1ccc(C2(c3ccc(OCC(O)CO)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C32H32O6/c1-36-19-25(35)21-38-27-16-12-23(13-17-27)32(22-10-14-26(15-11-22)37-20-24(34)18-33)30-8-4-2-6-28(30)29-7-3-5-9-31(29)32/h2-17,24-25,33-35H,18-21H2,1H3
• InChIKey: UTMSQJCWXZZSLF-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 88.38 Ų
• H-Bond Donors: 3
• 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	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol (CID 71003810) is 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol.

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

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

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

The InChIKey is UTMSQJCWXZZSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-36-19-25(35)21-38-27-16-12-23(13-17-27)32(22-10-14-26(15-11-22)37-20-24(34)18-33)30-8-4-2-6-28(30)29-7-3-5-9-31(29)32/h2-17,24-25,33-35H,18-21H2,1H3.

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

3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol has a molecular weight of 512.60 g/mol, XLogP of 4.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol is sourced from PubChem (CID 71003810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).