3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide

C10H10BrOP — CID 14392855

IUPAC3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(c2ccccc2)C=CC(Br)C1
InChIInChI=1S/C10H10BrOP/c11-9-6-7-13(12,8-9)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyUXTFRQXSUSQROV-UHFFFAOYSA-N
MW257.07 g/mol
LogP2.97
Rot. Bonds1

About 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide

3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide (PubChem CID 14392855) has the molecular formula C10H10BrOP and a molecular weight of 257.07 g/mol. Its IUPAC name is 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
PubChem CID14392855
Molecular FormulaC10H10BrOP
Molecular Weight257.07 g/mol
Exact Mass255.97
IUPAC Name3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(c2ccccc2)C=CC(Br)C1
InChIInChI=1S/C10H10BrOP/c11-9-6-7-13(12,8-9)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyUXTFRQXSUSQROV-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide (CID 14392855) is 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide is O=P1(c2ccccc2)C=CC(Br)C1.
What is the InChIKey of 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is UXTFRQXSUSQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrOP/c11-9-6-7-13(12,8-9)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide?
3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 257.07 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 14392855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).