4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane

C32H42ClO5P — CID 143340410

About 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane

4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane (PubChem CID 143340410) has the molecular formula C32H42ClO5P and a molecular weight of 573.11 g/mol. Its IUPAC name is 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane.

Molecular Properties

• Compound Name: 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane
• PubChem CID: 143340410
• Molecular Formula: C32H42ClO5P
• Molecular Weight: 573.11 g/mol
• Exact Mass: 572.25
• IUPAC Name: 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane
• SMILES: CC.Cc1cc(OCP2(=O)OC(C)CC(c3cccc(Cl)c3C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
• InChI: InChI=1S/C30H36ClO5P.C2H6/c1-18(2)26-15-23(10-11-29(26)32)16-27-19(3)12-24(13-20(27)4)34-17-37(33)35-21(5)14-30(36-37)25-8-7-9-28(31)22(25)6;1-2/h7-13,15,18,21,30,32H,14,16-17H2,1-6H3;1-2H3
• InChIKey: HQIMZAIBTBNWGX-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.11
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane?

The IUPAC name of 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane (CID 143340410) is 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane.

What is the SMILES notation for 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane?

The canonical SMILES for 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane is CC.Cc1cc(OCP2(=O)OC(C)CC(c3cccc(Cl)c3C)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.

What is the InChIKey of 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane?

The InChIKey is HQIMZAIBTBNWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClO5P.C2H6/c1-18(2)26-15-23(10-11-29(26)32)16-27-19(3)12-24(13-20(27)4)34-17-37(33)35-21(5)14-30(36-37)25-8-7-9-28(31)22(25)6;1-2/h7-13,15,18,21,30,32H,14,16-17H2,1-6H3;1-2H3.

What are the key properties of 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane?

4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane has a molecular weight of 573.11 g/mol, XLogP of 9.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[4-(3-chloro-2-methylphenyl)-6-methyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol;ethane is sourced from PubChem (CID 143340410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).