2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine

C35H38O6P2 — CID 16756452

IUPAC2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cc(C)c2c(c1)COP(Oc1c(C)cc(C)cc1Cc1cc(C)cc(C)c1OP1OCc3cc(C)cc(C)c3O1)O2
InChIInChI=1S/C35H38O6P2/c1-20-9-24(5)32(38-42-36-18-30-15-22(3)11-26(7)34(30)40-42)28(13-20)17-29-14-21(2)10-25(6)33(29)39-43-37-19-31-16-23(4)12-27(8)35(31)41-43/h9-16H,17-19H2,1-8H3
InChIKeyKMBWXHQTNAMBEQ-UHFFFAOYSA-N
MW616.63 g/mol
LogP10.17
Rot. Bonds6

About 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine

2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine (PubChem CID 16756452) has the molecular formula C35H38O6P2 and a molecular weight of 616.63 g/mol. Its IUPAC name is 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine.

Molecular Properties

Compound Name2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine
PubChem CID16756452
Molecular FormulaC35H38O6P2
Molecular Weight616.63 g/mol
Exact Mass616.21
IUPAC Name2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine
SMILESCc1cc(C)c2c(c1)COP(Oc1c(C)cc(C)cc1Cc1cc(C)cc(C)c1OP1OCc3cc(C)cc(C)c3O1)O2
InChIInChI=1S/C35H38O6P2/c1-20-9-24(5)32(38-42-36-18-30-15-22(3)11-26(7)34(30)40-42)28(13-20)17-29-14-21(2)10-25(6)33(29)39-43-37-19-31-16-23(4)12-27(8)35(31)41-43/h9-16H,17-19H2,1-8H3
InChIKeyKMBWXHQTNAMBEQ-UHFFFAOYSA-N
XLogP10.17
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.63
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine?
The IUPAC name of 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine (CID 16756452) is 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine.
What is the SMILES notation for 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine?
The canonical SMILES for 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine is Cc1cc(C)c2c(c1)COP(Oc1c(C)cc(C)cc1Cc1cc(C)cc(C)c1OP1OCc3cc(C)cc(C)c3O1)O2.
What is the InChIKey of 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine?
The InChIKey is KMBWXHQTNAMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38O6P2/c1-20-9-24(5)32(38-42-36-18-30-15-22(3)11-26(7)34(30)40-42)28(13-20)17-29-14-21(2)10-25(6)33(29)39-43-37-19-31-16-23(4)12-27(8)35(31)41-43/h9-16H,17-19H2,1-8H3.
What are the key properties of 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine?
2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine has a molecular weight of 616.63 g/mol, XLogP of 10.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[(6,8-dimethyl-4H-1,3,2-benzodioxaphosphinin-2-yl)oxy]-3,5-dimethylphenyl]methyl]-4,6-dimethylphenoxy]-6,8-dimethyl-4H-1,3,2-benzodioxaphosphinine is sourced from PubChem (CID 16756452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).