(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol

C15H23BO3 — CID 154711839

IUPAC(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
SMILESCc1cccc(C)c1C(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-10-8-7-9-11(2)12(10)13(17)16-18-14(3,4)15(5,6)19-16/h7-9,13,17H,1-6H3
InChIKeyXUFBREPTIUVVPA-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.97
Rot. Bonds2

About (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol

(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol (PubChem CID 154711839) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
PubChem CID154711839
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol
SMILESCc1cccc(C)c1C(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-10-8-7-9-11(2)12(10)13(17)16-18-14(3,4)15(5,6)19-16/h7-9,13,17H,1-6H3
InChIKeyXUFBREPTIUVVPA-UHFFFAOYSA-N
XLogP2.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The IUPAC name of (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol (CID 154711839) is (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol.
What is the SMILES notation for (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The canonical SMILES for (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol is Cc1cccc(C)c1C(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
The InChIKey is XUFBREPTIUVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-10-8-7-9-11(2)12(10)13(17)16-18-14(3,4)15(5,6)19-16/h7-9,13,17H,1-6H3.
What are the key properties of (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol?
(2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol has a molecular weight of 262.16 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanol is sourced from PubChem (CID 154711839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).