2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H21BCl2O3 — CID 69189528

IUPAC2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1Cl
InChIInChI=1S/C15H21BCl2O3/c1-9(2)19-13-7-10(11(17)8-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3
InChIKeyFZSDQYUBISUEOE-UHFFFAOYSA-N
MW331.05 g/mol
LogP4.08
Rot. Bonds3

About 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 69189528) has the molecular formula C15H21BCl2O3 and a molecular weight of 331.05 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID69189528
Molecular FormulaC15H21BCl2O3
Molecular Weight331.05 g/mol
Exact Mass330.10
IUPAC Name2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1Cl
InChIInChI=1S/C15H21BCl2O3/c1-9(2)19-13-7-10(11(17)8-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3
InChIKeyFZSDQYUBISUEOE-UHFFFAOYSA-N
XLogP4.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.05
LogP ≤ 54.08
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-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 69189528) is 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)Oc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FZSDQYUBISUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BCl2O3/c1-9(2)19-13-7-10(11(17)8-12(13)18)16-20-14(3,4)15(5,6)21-16/h7-9H,1-6H3.
What are the key properties of 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 331.05 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 69189528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).