4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide

C14H10BrO3P — CID 15357331

IUPAC4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=P1(O)C=C(c2ccc(Br)cc2)c2ccccc2O1
InChIInChI=1S/C14H10BrO3P/c15-11-7-5-10(6-8-11)13-9-19(16,17)18-14-4-2-1-3-12(13)14/h1-9H,(H,16,17)
InChIKeyGBDGHBXBOSOIPE-UHFFFAOYSA-N
MW337.11 g/mol
LogP4.42
Rot. Bonds1

About 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide

4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide (PubChem CID 15357331) has the molecular formula C14H10BrO3P and a molecular weight of 337.11 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide
PubChem CID15357331
Molecular FormulaC14H10BrO3P
Molecular Weight337.11 g/mol
Exact Mass335.96
IUPAC Name4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=P1(O)C=C(c2ccc(Br)cc2)c2ccccc2O1
InChIInChI=1S/C14H10BrO3P/c15-11-7-5-10(6-8-11)13-9-19(16,17)18-14-4-2-1-3-12(13)14/h1-9H,(H,16,17)
InChIKeyGBDGHBXBOSOIPE-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.11
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide 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-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide?
The IUPAC name of 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide (CID 15357331) is 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide.
What is the SMILES notation for 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide?
The canonical SMILES for 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide is O=P1(O)C=C(c2ccc(Br)cc2)c2ccccc2O1.
What is the InChIKey of 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide?
The InChIKey is GBDGHBXBOSOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrO3P/c15-11-7-5-10(6-8-11)13-9-19(16,17)18-14-4-2-1-3-12(13)14/h1-9H,(H,16,17).
What are the key properties of 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide?
4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide has a molecular weight of 337.11 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-hydroxy-1,2λ5-benzoxaphosphinine 2-oxide is sourced from PubChem (CID 15357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).