2-(2-methoxyphenyl)-1,3,2-dioxaborolane

C9H11BO3 — CID 11344322

IUPAC2-(2-methoxyphenyl)-1,3,2-dioxaborolane
SMILESCOc1ccccc1B1OCCO1
InChIInChI=1S/C9H11BO3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-5H,6-7H2,1H3
InChIKeyONWDCSHQCKLAMG-UHFFFAOYSA-N
MW178.00 g/mol
LogP0.44
Rot. Bonds2

About 2-(2-methoxyphenyl)-1,3,2-dioxaborolane

2-(2-methoxyphenyl)-1,3,2-dioxaborolane (PubChem CID 11344322) has the molecular formula C9H11BO3 and a molecular weight of 178.00 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1,3,2-dioxaborolane
PubChem CID11344322
Molecular FormulaC9H11BO3
Molecular Weight178.00 g/mol
Exact Mass178.08
IUPAC Name2-(2-methoxyphenyl)-1,3,2-dioxaborolane
SMILESCOc1ccccc1B1OCCO1
InChIInChI=1S/C9H11BO3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-5H,6-7H2,1H3
InChIKeyONWDCSHQCKLAMG-UHFFFAOYSA-N
XLogP0.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 50.44
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-(2-methoxyphenyl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methoxyphenyl)-1,3,2-dioxaborolane (CID 11344322) is 2-(2-methoxyphenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methoxyphenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methoxyphenyl)-1,3,2-dioxaborolane is COc1ccccc1B1OCCO1.
What is the InChIKey of 2-(2-methoxyphenyl)-1,3,2-dioxaborolane?
The InChIKey is ONWDCSHQCKLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1,3,2-dioxaborolane?
2-(2-methoxyphenyl)-1,3,2-dioxaborolane has a molecular weight of 178.00 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 11344322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).