2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate

C29H27O7P — CID 71033273

About 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate (PubChem CID 71033273) has the molecular formula C29H27O7P and a molecular weight of 518.50 g/mol. Its IUPAC name is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate.

Molecular Properties

• Compound Name: 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
• PubChem CID: 71033273
• Molecular Formula: C29H27O7P
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.15
• IUPAC Name: 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate
• SMILES: O=P(O)(O)OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C29H27O7P/c30-17-18-34-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)35-19-20-36-37(31,32)33)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30H,17-20H2,(H2,31,32,33)
• InChIKey: QROQBKGZUNJVQC-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 105.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate?

The IUPAC name of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate (CID 71033273) is 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate.

What is the SMILES notation for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate?

The canonical SMILES for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate is O=P(O)(O)OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate?

The InChIKey is QROQBKGZUNJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27O7P/c30-17-18-34-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)35-19-20-36-37(31,32)33)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30H,17-20H2,(H2,31,32,33).

What are the key properties of 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate?

2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate has a molecular weight of 518.50 g/mol, XLogP of 4.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 71033273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).