1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one

C27H24BrOP — CID 141048969

IUPAC1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24BrOP/c28-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)22-24(29)21-23-13-5-1-6-14-23/h1-20H,21-22H2
InChIKeyZXKJFXHYMPLXCE-UHFFFAOYSA-N
MW475.37 g/mol
LogP5.64
Rot. Bonds7

About 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one

1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one (PubChem CID 141048969) has the molecular formula C27H24BrOP and a molecular weight of 475.37 g/mol. Its IUPAC name is 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one
PubChem CID141048969
Molecular FormulaC27H24BrOP
Molecular Weight475.37 g/mol
Exact Mass474.07
IUPAC Name1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24BrOP/c28-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)22-24(29)21-23-13-5-1-6-14-23/h1-20H,21-22H2
InChIKeyZXKJFXHYMPLXCE-UHFFFAOYSA-N
XLogP5.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.37
LogP ≤ 55.64
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 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one (CID 141048969) is 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one?
The InChIKey is ZXKJFXHYMPLXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrOP/c28-30(25-15-7-2-8-16-25,26-17-9-3-10-18-26,27-19-11-4-12-20-27)22-24(29)21-23-13-5-1-6-14-23/h1-20H,21-22H2.
What are the key properties of 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one?
1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one has a molecular weight of 475.37 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(triphenyl)-λ5-phosphanyl]-3-phenylpropan-2-one is sourced from PubChem (CID 141048969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).