2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide

C10H13O4P — CID 13270396

IUPAC2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide
SMILESCCOC(C)P1(=O)Oc2ccccc2O1
InChIInChI=1S/C10H13O4P/c1-3-12-8(2)15(11)13-9-6-4-5-7-10(9)14-15/h4-8H,3H2,1-2H3
InChIKeyBOGAIWWRMHIPDW-UHFFFAOYSA-N
MW228.18 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide

2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide (PubChem CID 13270396) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide
PubChem CID13270396
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide
SMILESCCOC(C)P1(=O)Oc2ccccc2O1
InChIInChI=1S/C10H13O4P/c1-3-12-8(2)15(11)13-9-6-4-5-7-10(9)14-15/h4-8H,3H2,1-2H3
InChIKeyBOGAIWWRMHIPDW-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 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 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide?
The IUPAC name of 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide (CID 13270396) is 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide.
What is the SMILES notation for 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide?
The canonical SMILES for 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide is CCOC(C)P1(=O)Oc2ccccc2O1.
What is the InChIKey of 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide?
The InChIKey is BOGAIWWRMHIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P/c1-3-12-8(2)15(11)13-9-6-4-5-7-10(9)14-15/h4-8H,3H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide?
2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide has a molecular weight of 228.18 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-1,3,2lambda5-benzodioxaphosphole 2-oxide is sourced from PubChem (CID 13270396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).