[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium

C26H22BrFOP+ — CID 175386063

IUPAC[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCOc1cc(Br)cc(F)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22BrFOP/c1-29-24-18-19(27)17-23(28)26(24)22-15-9-10-16-25(22)30(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18H,1-2H3/q+1
InChIKeyUBCWSRDJHBBESQ-UHFFFAOYSA-N
MW480.34 g/mol
LogP6.19
Rot. Bonds5

About [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium

[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium (PubChem CID 175386063) has the molecular formula C26H22BrFOP+ and a molecular weight of 480.34 g/mol. Its IUPAC name is [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium
PubChem CID175386063
Molecular FormulaC26H22BrFOP+
Molecular Weight480.34 g/mol
Exact Mass479.06
IUPAC Name[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium
SMILESCOc1cc(Br)cc(F)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22BrFOP/c1-29-24-18-19(27)17-23(28)26(24)22-15-9-10-16-25(22)30(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18H,1-2H3/q+1
InChIKeyUBCWSRDJHBBESQ-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.34
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium (CID 175386063) is [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium is COc1cc(Br)cc(F)c1-c1ccccc1[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is UBCWSRDJHBBESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrFOP/c1-29-24-18-19(27)17-23(28)26(24)22-15-9-10-16-25(22)30(2,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18H,1-2H3/q+1.
What are the key properties of [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium?
[2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 480.34 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-fluoro-6-methoxyphenyl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 175386063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).