3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide

C20H13BrClOP — CID 122684935

IUPAC3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
SMILESC1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C(=C2C4=CC=C(C=C4)Cl)Br
InChIInChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H
InChIKeyFBBZAFAFHICSED-UHFFFAOYSA-N
MW415.60 g/mol
LogP5.30
Rot. Bonds2

About 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide

3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide (PubChem CID 122684935) has the molecular formula C20H13BrClOP and a molecular weight of 415.60 g/mol. Its IUPAC name is 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide.

Molecular Properties

Compound Name3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
PubChem CID122684935
Molecular FormulaC20H13BrClOP
Molecular Weight415.60 g/mol
Exact Mass413.96
IUPAC Name3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
SMILESC1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C(=C2C4=CC=C(C=C4)Cl)Br
InChIInChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H
InChIKeyFBBZAFAFHICSED-UHFFFAOYSA-N
XLogP5.30
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity546

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The IUPAC name of 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide (CID 122684935) is 3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide.
What is the SMILES notation for 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The canonical SMILES for 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide is C1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C(=C2C4=CC=C(C=C4)Cl)Br.
What is the InChIKey of 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
The InChIKey is FBBZAFAFHICSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClOP/c21-19-17-8-4-5-9-18(17)24(23,16-6-2-1-3-7-16)20(19)14-10-12-15(22)13-11-14/h1-13H.
What are the key properties of 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide?
3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide has a molecular weight of 415.60 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide is sourced from PubChem (CID 122684935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).