[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane

C23H26O4P2S — CID 142850509

IUPAC[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane
SMILESCSc1cc(C)c(OPOc2ccccc2C)c(COPOc2ccccc2C)c1
InChIInChI=1S/C23H26O4P2S/c1-16-9-5-7-11-21(16)25-28-24-15-19-14-20(30-4)13-18(3)23(19)27-29-26-22-12-8-6-10-17(22)2/h5-14,28-29H,15H2,1-4H3
InChIKeyWIJPXOADRWQIDE-UHFFFAOYSA-N
MW460.47 g/mol
LogP7.40
Rot. Bonds10

About [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane

[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane (PubChem CID 142850509) has the molecular formula C23H26O4P2S and a molecular weight of 460.47 g/mol. Its IUPAC name is [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane.

Molecular Properties

Compound Name[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane
PubChem CID142850509
Molecular FormulaC23H26O4P2S
Molecular Weight460.47 g/mol
Exact Mass460.10
IUPAC Name[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane
SMILESCSc1cc(C)c(OPOc2ccccc2C)c(COPOc2ccccc2C)c1
InChIInChI=1S/C23H26O4P2S/c1-16-9-5-7-11-21(16)25-28-24-15-19-14-20(30-4)13-18(3)23(19)27-29-26-22-12-8-6-10-17(22)2/h5-14,28-29H,15H2,1-4H3
InChIKeyWIJPXOADRWQIDE-UHFFFAOYSA-N
XLogP7.40
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylphenoxy)-[1-[[2-(2-methylphenoxy)phosphanyloxynaphthalen-1-yl]methyl]naphthalen-2-yl]oxyphosphane
CID 54294686
2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
CID 142850473
2-(2-hydroxyphenyl)phenol;2-[2-[2-methyl-6-(phosphanyloxymethyl)-4-sulfanylphenoxy]phosphanyloxyphenyl]phenol
CID 142850472
(2,4-ditert-butylphenoxy)-[2-[(2,4-ditert-butylphenoxy)phosphanyloxymethyl]phenoxy]phosphane
CID 59422614
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
2-[(2-methylphenoxy)methyl]-1-benzothiophen-6-ol
CID 117179784
(2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(2-methylphenoxy)propanoate
CID 7433833
4-methyl-2-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117184698
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane?
The IUPAC name of [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane (CID 142850509) is [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane.
What is the SMILES notation for [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane?
The canonical SMILES for [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane is CSc1cc(C)c(OPOc2ccccc2C)c(COPOc2ccccc2C)c1.
What is the InChIKey of [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane?
The InChIKey is WIJPXOADRWQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4P2S/c1-16-9-5-7-11-21(16)25-28-24-15-19-14-20(30-4)13-18(3)23(19)27-29-26-22-12-8-6-10-17(22)2/h5-14,28-29H,15H2,1-4H3.
What are the key properties of [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane?
[2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane has a molecular weight of 460.47 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[(2-methylphenoxy)phosphanyloxymethyl]-4-methylsulfanylphenoxy]-(2-methylphenoxy)phosphane is sourced from PubChem (CID 142850509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).