7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

C16H14ClO3P — CID 11244131

IUPAC7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(c2ccccc2)=Cc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClO3P/c1-2-19-21(18)16-11-14(17)9-8-13(16)10-15(20-21)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyROYUIAKRPHAXTH-UHFFFAOYSA-N
MW320.71 g/mol
LogP4.72
Rot. Bonds3

About 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide

7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 11244131) has the molecular formula C16H14ClO3P and a molecular weight of 320.71 g/mol. Its IUPAC name is 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID11244131
Molecular FormulaC16H14ClO3P
Molecular Weight320.71 g/mol
Exact Mass320.04
IUPAC Name7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(c2ccccc2)=Cc2ccc(Cl)cc21
InChIInChI=1S/C16H14ClO3P/c1-2-19-21(18)16-11-14(17)9-8-13(16)10-15(20-21)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKeyROYUIAKRPHAXTH-UHFFFAOYSA-N
XLogP4.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Mifobate
CID 60910
7-Chloro-1-ethoxy-3-(4-ethylphenyl)-4-iodo-2,1lambda5-benzoxaphosphinine 1-oxide
CID 23421450
4-Bromo-7-chloro-1-ethoxy-3-(4-ethylphenyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 46888874
4,7-Dichloro-1-ethoxy-3-(4-ethylphenyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 46889008
Phosphoric acid, 1-(2,4-dichlorophenyl)ethenyl diethyl ester
CID 217227
1-(2,4-Dichlorophenyl)ethenyl dimethyl phosphate
CID 3039062
7-Chloro-1-ethoxy-3-(4-ethylphenyl)-4-(2-phenylethynyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 46202177
4-Chloro-1-hydroxy-3-phenyl-2,1lambda5-benzoxaphosphinine 1-oxide
CID 46866275
7-Chloro-1-ethoxy-3-(4-ethylphenyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 11152257
1H-2,1-Benzoxaphosphorin, 1-ethoxy-4-iodo-3-phenyl-, 1-oxide
CID 11292827
1-Ethoxy-3-phenyl-2,1lambda5-benzoxaphosphinine 1-oxide
CID 12119560
7-Chloro-1-ethoxy-4-iodo-3-phenyl-2,1lambda5-benzoxaphosphinine 1-oxide
CID 23421451

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide (CID 11244131) is 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is CCOP1(=O)OC(c2ccccc2)=Cc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is ROYUIAKRPHAXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClO3P/c1-2-19-21(18)16-11-14(17)9-8-13(16)10-15(20-21)12-6-4-3-5-7-12/h3-11H,2H2,1H3.
What are the key properties of 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide?
7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 320.71 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethoxy-3-phenyl-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 11244131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).