(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide

C35H32BrO4P — CID 57341649

IUPAC(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide
SMILESCOc1ccccc1[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-]
InChIInChI=1S/C35H32O4P.BrH/c1-37-29-15-7-10-18-32(29)40(33-19-11-8-16-30(33)38-2,34-20-12-9-17-31(34)39-3)25-26-21-23-28(24-22-26)35(36)27-13-5-4-6-14-27;/h4-24H,25H2,1-3H3;1H/q+1;/p-1
InChIKeyUCOJGXYMZNZHSV-UHFFFAOYSA-M
MW627.52 g/mol
LogP3.44
Rot. Bonds10

About (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide

(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide (PubChem CID 57341649) has the molecular formula C35H32BrO4P and a molecular weight of 627.52 g/mol. Its IUPAC name is (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide.

Molecular Properties

Compound Name(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide
PubChem CID57341649
Molecular FormulaC35H32BrO4P
Molecular Weight627.52 g/mol
Exact Mass626.12
IUPAC Name(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide
SMILESCOc1ccccc1[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-]
InChIInChI=1S/C35H32O4P.BrH/c1-37-29-15-7-10-18-32(29)40(33-19-11-8-16-30(33)38-2,34-20-12-9-17-31(34)39-3)25-26-21-23-28(24-22-26)35(36)27-13-5-4-6-14-27;/h4-24H,25H2,1-3H3;1H/q+1;/p-1
InChIKeyUCOJGXYMZNZHSV-UHFFFAOYSA-M
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500627.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide?
The IUPAC name of (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide (CID 57341649) is (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide.
What is the SMILES notation for (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide?
The canonical SMILES for (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide is COc1ccccc1[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(c1ccccc1OC)c1ccccc1OC.[Br-].
What is the InChIKey of (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide?
The InChIKey is UCOJGXYMZNZHSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H32O4P.BrH/c1-37-29-15-7-10-18-32(29)40(33-19-11-8-16-30(33)38-2,34-20-12-9-17-31(34)39-3)25-26-21-23-28(24-22-26)35(36)27-13-5-4-6-14-27;/h4-24H,25H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide?
(4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide has a molecular weight of 627.52 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl)methyl-tris(2-methoxyphenyl)phosphanium bromide is sourced from PubChem (CID 57341649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).