2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane

C21H26F3O2P — CID 89214352

IUPAC2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
SMILESCCC(C)(Pc1ccc(C)cc1C(F)(F)F)c1cc(C)ccc1OCOC
InChIInChI=1S/C21H26F3O2P/c1-6-20(4,16-11-14(2)7-9-18(16)26-13-25-5)27-19-10-8-15(3)12-17(19)21(22,23)24/h7-12,27H,6,13H2,1-5H3
InChIKeyNUEKYGMLCVGKIZ-UHFFFAOYSA-N
MW398.41 g/mol
LogP5.93
Rot. Bonds7

About 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane

2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane (PubChem CID 89214352) has the molecular formula C21H26F3O2P and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
PubChem CID89214352
Molecular FormulaC21H26F3O2P
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
SMILESCCC(C)(Pc1ccc(C)cc1C(F)(F)F)c1cc(C)ccc1OCOC
InChIInChI=1S/C21H26F3O2P/c1-6-20(4,16-11-14(2)7-9-18(16)26-13-25-5)27-19-10-8-15(3)12-17(19)21(22,23)24/h7-12,27H,6,13H2,1-5H3
InChIKeyNUEKYGMLCVGKIZ-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
CID 88987772
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
1-(2-methoxyethoxymethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 91496733
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
4-(methoxymethoxy)-3-(trifluoromethyl)aniline
CID 65365194
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
1-[2-[2-[2-(methoxymethoxy)-3-methylphenyl]butan-2-ylphosphanyl]-5-methylphenyl]ethanol
CID 89214388
1-[2-[2-[2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]phenyl]-N,N-dimethylmethanamine
CID 89214490
1-(fluoromethoxy)-4-methyl-2-(trifluoromethyl)benzene
CID 145450835
1-[2-[2-[5-benzyl-2-(methoxymethoxy)phenyl]pentan-2-ylphosphanyl]-5-methylphenyl]ethanone
CID 89214655
2-[2-(methoxymethoxy)phenyl]propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
CID 89214358
1-[2-[2-[3-benzyl-2-(methoxymethoxy)phenyl]butan-2-ylphosphanyl]-5-methylphenyl]-N-methylmethanimine
CID 89214594

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane (CID 89214352) is 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane is CCC(C)(Pc1ccc(C)cc1C(F)(F)F)c1cc(C)ccc1OCOC.
What is the InChIKey of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane?
The InChIKey is NUEKYGMLCVGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3O2P/c1-6-20(4,16-11-14(2)7-9-18(16)26-13-25-5)27-19-10-8-15(3)12-17(19)21(22,23)24/h7-12,27H,6,13H2,1-5H3.
What are the key properties of 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane?
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane has a molecular weight of 398.41 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 89214352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).