10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium

C41H52O2P+ — CID 132554822

About 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium

10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium (PubChem CID 132554822) has the molecular formula C41H52O2P+ and a molecular weight of 607.84 g/mol. Its IUPAC name is 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium.

Molecular Properties

• Compound Name: 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium
• PubChem CID: 132554822
• Molecular Formula: C41H52O2P+
• Molecular Weight: 607.84 g/mol
• Exact Mass: 607.37
• IUPAC Name: 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)O2
• InChI: InChI=1S/C41H51O2P/c1-32-33(2)40-38(34(3)39(32)42)28-30-41(4,43-40)29-20-9-7-5-6-8-10-21-31-44(35-22-14-11-15-23-35,36-24-16-12-17-25-36)37-26-18-13-19-27-37/h11-19,22-27H,5-10,20-21,28-31H2,1-4H3/p+1
• InChIKey: LRNHBCNBUCTSAE-UHFFFAOYSA-O
• XLogP: 9.91
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.84
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

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 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium?

The IUPAC name of 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium (CID 132554822) is 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium.

What is the SMILES notation for 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium?

The canonical SMILES for 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)O2.

What is the InChIKey of 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium?

The InChIKey is LRNHBCNBUCTSAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C41H51O2P/c1-32-33(2)40-38(34(3)39(32)42)28-30-41(4,43-40)29-20-9-7-5-6-8-10-21-31-44(35-22-14-11-15-23-35,36-24-16-12-17-25-36)37-26-18-13-19-27-37/h11-19,22-27H,5-10,20-21,28-31H2,1-4H3/p+1.

What are the key properties of 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium?

10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium has a molecular weight of 607.84 g/mol, XLogP of 9.91, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium is sourced from PubChem (CID 132554822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).