[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid

C₁₉H₂₀O₃P₂ — CID 118687805

About [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid

[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid (PubChem CID 118687805) has the molecular formula C₁₉H₂₀O₃P₂ and a molecular weight of 358.31 g/mol. Its IUPAC name is [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid.

Molecular Properties

• Compound Name: [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
• PubChem CID: 118687805
• Molecular Formula: C₁₉H₂₀O₃P₂
• Molecular Weight: 358.31 g/mol
• Exact Mass: 358.09
• IUPAC Name: [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid
• SMILES: C[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(=O)(O)O
• InChI: InChI=1S/C19H20O3P2/c1-15(24(20,21)22)18-13-8-14-19(18)23(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-12,14-15H,13H2,1H3,(H2,20,21,22)/t15-/m1/s1
• InChIKey: ICQOOLARZNPEJC-OAHLLOKOSA-N
• XLogP: 3.90
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.31
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?

The IUPAC name of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid (CID 118687805) is [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid.

What is the SMILES notation for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?

The canonical SMILES for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid is C[C@H](C1=C(P(c2ccccc2)c2ccccc2)C=CC1)P(=O)(O)O.

What is the InChIKey of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?

The InChIKey is ICQOOLARZNPEJC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20O3P2/c1-15(24(20,21)22)18-13-8-14-19(18)23(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-12,14-15H,13H2,1H3,(H2,20,21,22)/t15-/m1/s1.

What are the key properties of [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid?

[(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid has a molecular weight of 358.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphonic acid is sourced from PubChem (CID 118687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118687805 — identifiers, structure, computed properties (public domain)

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