4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide

C12H17O4P — CID 23416155

IUPAC4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1(C)OP(=O)(Oc2ccccc2)OC1(C)C
InChIInChI=1S/C12H17O4P/c1-11(2)12(3,4)16-17(13,15-11)14-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyWOBSLPZCBSZBOV-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.78
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide

4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 23416155) has the molecular formula C12H17O4P and a molecular weight of 256.24 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID23416155
Molecular FormulaC12H17O4P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1(C)OP(=O)(Oc2ccccc2)OC1(C)C
InChIInChI=1S/C12H17O4P/c1-11(2)12(3,4)16-17(13,15-11)14-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyWOBSLPZCBSZBOV-UHFFFAOYSA-N
XLogP3.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 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 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 23416155) is 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide is CC1(C)OP(=O)(Oc2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is WOBSLPZCBSZBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O4P/c1-11(2)12(3,4)16-17(13,15-11)14-10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 256.24 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 23416155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).