1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone

C20H16BrO3P — CID 175041062

IUPAC1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
SMILESO=C(COP(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrO3P/c21-17-13-11-16(12-14-17)20(22)15-24-25(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyFDRXCNGNVHRIFK-UHFFFAOYSA-N
MW415.22 g/mol
LogP4.58
Rot. Bonds6

About 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone

1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone (PubChem CID 175041062) has the molecular formula C20H16BrO3P and a molecular weight of 415.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
PubChem CID175041062
Molecular FormulaC20H16BrO3P
Molecular Weight415.22 g/mol
Exact Mass414.00
IUPAC Name1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
SMILESO=C(COP(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H16BrO3P/c21-17-13-11-16(12-14-17)20(22)15-24-25(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyFDRXCNGNVHRIFK-UHFFFAOYSA-N
XLogP4.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
(3S)-1-(4-bromophenyl)-3-diphenylphosphoryl-3-phenylpropan-1-one
CID 102126305
methyl phenacyl hydrogen phosphate
CID 151367675
bis[2-(4-bromophenyl)-2-oxoethyl] 2-bromobenzene-1,3-dicarboxylate
CID 2728564
[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury
CID 11228065
phenacyl 4-bromobenzenesulfonate
CID 71336543
[2-(4-bromophenyl)-2-oxoethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 1277161
2-[ethoxy(phenyl)phosphoryl]-1-phenylethanone
CID 929448
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895
4-(4-bromophenyl)-1-phenylbutane-1,2,4-trione
CID 162997615
1-(4-bromophenyl)-2-prop-2-enoxyethanone
CID 62030798

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone?
The IUPAC name of 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone (CID 175041062) is 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone is O=C(COP(=O)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone?
The InChIKey is FDRXCNGNVHRIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrO3P/c21-17-13-11-16(12-14-17)20(22)15-24-25(23,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2.
What are the key properties of 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone?
1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone has a molecular weight of 415.22 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone is sourced from PubChem (CID 175041062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).