2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BO3 — CID 79661646

IUPAC2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-6-17-11-12-9-7-8-10-13(12)16-18-14(2,3)15(4,5)19-16/h7-10H,6,11H2,1-5H3
InChIKeyKRWGTOHJOXCRLN-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.52
Rot. Bonds4

About 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 79661646) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID79661646
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOCc1ccccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-6-17-11-12-9-7-8-10-13(12)16-18-14(2,3)15(4,5)19-16/h7-10H,6,11H2,1-5H3
InChIKeyKRWGTOHJOXCRLN-UHFFFAOYSA-N
XLogP2.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 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-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 79661646) is 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOCc1ccccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is KRWGTOHJOXCRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-6-17-11-12-9-7-8-10-13(12)16-18-14(2,3)15(4,5)19-16/h7-10H,6,11H2,1-5H3.
What are the key properties of 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 79661646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).