[2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid

C23H33O4P — CID 68954892

About [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid

[2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid (PubChem CID 68954892) has the molecular formula C23H33O4P and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid.

Molecular Properties

• Compound Name: [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid
• PubChem CID: 68954892
• Molecular Formula: C23H33O4P
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.21
• IUPAC Name: [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid
• SMILES: CCCP(=O)(O)CC(O)c1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1
• InChI: InChI=1S/C23H33O4P/c1-6-9-28(26,27)14-23(25)19-10-16(4)21(17(5)11-19)13-18-7-8-22(24)20(12-18)15(2)3/h7-8,10-12,15,23-25H,6,9,13-14H2,1-5H3,(H,26,27)
• InChIKey: FGKLUSCLXNSJRV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 77.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid?

The IUPAC name of [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid (CID 68954892) is [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid.

What is the SMILES notation for [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid?

The canonical SMILES for [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid is CCCP(=O)(O)CC(O)c1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1.

What is the InChIKey of [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid?

The InChIKey is FGKLUSCLXNSJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33O4P/c1-6-9-28(26,27)14-23(25)19-10-16(4)21(17(5)11-19)13-18-7-8-22(24)20(12-18)15(2)3/h7-8,10-12,15,23-25H,6,9,13-14H2,1-5H3,(H,26,27).

What are the key properties of [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid?

[2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid has a molecular weight of 404.49 g/mol, XLogP of 5.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-hydroxy-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]ethyl]-propylphosphinic acid is sourced from PubChem (CID 68954892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).