methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium

C38H35Cl3O2P+ — CID 165020471

About methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium

methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium (PubChem CID 165020471) has the molecular formula C38H35Cl3O2P+ and a molecular weight of 661.03 g/mol. Its IUPAC name is methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium.

Molecular Properties

• Compound Name: methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium
• PubChem CID: 165020471
• Molecular Formula: C38H35Cl3O2P+
• Molecular Weight: 661.03 g/mol
• Exact Mass: 659.14
• IUPAC Name: methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium
• SMILES: C.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC[P+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C37H30Cl3O2P.CH4/c1-3-5-26-7-21-36(41)34(23-26)35-24-27(6-4-2)8-22-37(35)42-25-43(31-15-9-28(38)10-16-31,32-17-11-29(39)12-18-32)33-19-13-30(40)14-20-33;/h3-4,7-24H,1-2,5-6,25H2;1H4/p+1
• InChIKey: ZDVDIPMPZMUXFI-UHFFFAOYSA-O
• XLogP: 10.44
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.03
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium?

The IUPAC name of methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium (CID 165020471) is methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium.

What is the SMILES notation for methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium?

The canonical SMILES for methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium is C.C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC[P+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1.

What is the InChIKey of methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium?

The InChIKey is ZDVDIPMPZMUXFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H30Cl3O2P.CH4/c1-3-5-26-7-21-36(41)34(23-26)35-24-27(6-4-2)8-22-37(35)42-25-43(31-15-9-28(38)10-16-31,32-17-11-29(39)12-18-32)33-19-13-30(40)14-20-33;/h3-4,7-24H,1-2,5-6,25H2;1H4/p+1.

What are the key properties of methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium?

methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium has a molecular weight of 661.03 g/mol, XLogP of 10.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methane;tris(4-chlorophenyl)-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]phosphanium is sourced from PubChem (CID 165020471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).