2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

C15H23BO4 — CID 123532622

IUPAC2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
SMILESCOc1ccc(CCO)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-11(8-9-17)6-7-13(12)18-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyIYTYLKVMAHBJSH-UHFFFAOYSA-N
MW278.16 g/mol
LogP1.53
Rot. Bonds4

About 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol

2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol (PubChem CID 123532622) has the molecular formula C15H23BO4 and a molecular weight of 278.16 g/mol. Its IUPAC name is 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
PubChem CID123532622
Molecular FormulaC15H23BO4
Molecular Weight278.16 g/mol
Exact Mass278.17
IUPAC Name2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
SMILESCOc1ccc(CCO)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-11(8-9-17)6-7-13(12)18-5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyIYTYLKVMAHBJSH-UHFFFAOYSA-N
XLogP1.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol?
The IUPAC name of 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol (CID 123532622) is 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol is COc1ccc(CCO)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol?
The InChIKey is IYTYLKVMAHBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO4/c1-14(2)15(3,4)20-16(19-14)12-10-11(8-9-17)6-7-13(12)18-5/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol?
2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol has a molecular weight of 278.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol is sourced from PubChem (CID 123532622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).