2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BO3 — CID 121232302

IUPAC2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-7-11-10-12(17-6)8-9-13(11)16-18-14(2,3)15(4,5)19-16/h8-10H,7H2,1-6H3
InChIKeyRLDOSJLFRQTMMY-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 121232302) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID121232302
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCc1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO3/c1-7-11-10-12(17-6)8-9-13(11)16-18-14(2,3)15(4,5)19-16/h8-10H,7H2,1-6H3
InChIKeyRLDOSJLFRQTMMY-UHFFFAOYSA-N
XLogP2.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.56
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-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 121232302) is 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCc1cc(OC)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is RLDOSJLFRQTMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-7-11-10-12(17-6)8-9-13(11)16-18-14(2,3)15(4,5)19-16/h8-10H,7H2,1-6H3.
What are the key properties of 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 121232302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).