4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

C14H10ClO3P — CID 46866275

IUPAC4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESO=P1(O)OC(c2ccccc2)=C(Cl)c2ccccc21
InChIInChI=1S/C14H10ClO3P/c15-13-11-8-4-5-9-12(11)19(16,17)18-14(13)10-6-2-1-3-7-10/h1-9H,(H,16,17)
InChIKeyBVGJPIOKKYOWEW-UHFFFAOYSA-N
MW292.66 g/mol
LogP3.59
Rot. Bonds1

About 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 46866275) has the molecular formula C14H10ClO3P and a molecular weight of 292.66 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID46866275
Molecular FormulaC14H10ClO3P
Molecular Weight292.66 g/mol
Exact Mass292.01
IUPAC Name4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESO=P1(O)OC(c2ccccc2)=C(Cl)c2ccccc21
InChIInChI=1S/C14H10ClO3P/c15-13-11-8-4-5-9-12(11)19(16,17)18-14(13)10-6-2-1-3-7-10/h1-9H,(H,16,17)
InChIKeyBVGJPIOKKYOWEW-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.66
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (CID 46866275) is 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is O=P1(O)OC(c2ccccc2)=C(Cl)c2ccccc21.
What is the InChIKey of 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is BVGJPIOKKYOWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClO3P/c15-13-11-8-4-5-9-12(11)19(16,17)18-14(13)10-6-2-1-3-7-10/h1-9H,(H,16,17).
What are the key properties of 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 292.66 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 46866275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).