1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide

C24H23O3P — CID 72701570

IUPAC1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(c2ccccc2)=C(c2ccccc2)c2ccc(C)c(C)c21
InChIInChI=1S/C24H23O3P/c1-4-26-28(25)24-18(3)17(2)15-16-21(24)22(19-11-7-5-8-12-19)23(27-28)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3
InChIKeyVIORHDCIZKHVLH-UHFFFAOYSA-N
MW390.42 g/mol
LogP6.11
Rot. Bonds4

About 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide

1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide (PubChem CID 72701570) has the molecular formula C24H23O3P and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide.

Molecular Properties

Compound Name1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide
PubChem CID72701570
Molecular FormulaC24H23O3P
Molecular Weight390.42 g/mol
Exact Mass390.14
IUPAC Name1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide
SMILESCCOP1(=O)OC(c2ccccc2)=C(c2ccccc2)c2ccc(C)c(C)c21
InChIInChI=1S/C24H23O3P/c1-4-26-28(25)24-18(3)17(2)15-16-21(24)22(19-11-7-5-8-12-19)23(27-28)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3
InChIKeyVIORHDCIZKHVLH-UHFFFAOYSA-N
XLogP6.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 56.11
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'}

Analyze 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-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 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The IUPAC name of 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide (CID 72701570) is 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide.
What is the SMILES notation for 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The canonical SMILES for 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide is CCOP1(=O)OC(c2ccccc2)=C(c2ccccc2)c2ccc(C)c(C)c21.
What is the InChIKey of 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide?
The InChIKey is VIORHDCIZKHVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O3P/c1-4-26-28(25)24-18(3)17(2)15-16-21(24)22(19-11-7-5-8-12-19)23(27-28)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3.
What are the key properties of 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide?
1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide has a molecular weight of 390.42 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7,8-dimethyl-3,4-diphenyl-2,1λ5-benzoxaphosphinine 1-oxide is sourced from PubChem (CID 72701570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).