4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane

C19H21BO3 — CID 155603276

IUPAC4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1oc1ccccc12
InChIInChI=1S/C19H21BO3/c1-12-10-11-14(20-22-18(2,3)19(4,5)23-20)16-13-8-6-7-9-15(13)21-17(12)16/h6-11H,1-5H3
InChIKeyUXTKLPUTDPWFNI-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.19
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane (PubChem CID 155603276) has the molecular formula C19H21BO3 and a molecular weight of 308.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
PubChem CID155603276
Molecular FormulaC19H21BO3
Molecular Weight308.19 g/mol
Exact Mass308.16
IUPAC Name4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane
SMILESCc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1oc1ccccc12
InChIInChI=1S/C19H21BO3/c1-12-10-11-14(20-22-18(2,3)19(4,5)23-20)16-13-8-6-7-9-15(13)21-17(12)16/h6-11H,1-5H3
InChIKeyUXTKLPUTDPWFNI-UHFFFAOYSA-N
XLogP4.19
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.19
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 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane (CID 155603276) is 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane is Cc1ccc(B2OC(C)(C)C(C)(C)O2)c2c1oc1ccccc12.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
The InChIKey is UXTKLPUTDPWFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BO3/c1-12-10-11-14(20-22-18(2,3)19(4,5)23-20)16-13-8-6-7-9-15(13)21-17(12)16/h6-11H,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane has a molecular weight of 308.19 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(4-methyldibenzofuran-1-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 155603276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).