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

C15H23BO3 — CID 71756944

IUPAC2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-8-6-7-12(11-13)9-10-17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyHIYMIUPAKODMLO-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.17
Rot. Bonds4

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

2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 71756944) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID71756944
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-8-6-7-12(11-13)9-10-17-5/h6-8,11H,9-10H2,1-5H3
InChIKeyHIYMIUPAKODMLO-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 71756944) is 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HIYMIUPAKODMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-14(2)15(3,4)19-16(18-14)13-8-6-7-12(11-13)9-10-17-5/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.16 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 71756944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).