1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol

C20H24BFO3 — CID 66915395

IUPAC1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1
InChIInChI=1S/C20H24BFO3/c1-18(2)19(3,4)25-21(24-18)16-12-11-15(13-17(16)22)20(5,23)14-9-7-6-8-10-14/h6-13,23H,1-5H3
InChIKeyONYNQIIQAJKWRQ-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.38
Rot. Bonds3

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

1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol (PubChem CID 66915395) has the molecular formula C20H24BFO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol
PubChem CID66915395
Molecular FormulaC20H24BFO3
Molecular Weight342.22 g/mol
Exact Mass342.18
IUPAC Name1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1
InChIInChI=1S/C20H24BFO3/c1-18(2)19(3,4)25-21(24-18)16-12-11-15(13-17(16)22)20(5,23)14-9-7-6-8-10-14/h6-13,23H,1-5H3
InChIKeyONYNQIIQAJKWRQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol?
The IUPAC name of 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol (CID 66915395) is 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol.
What is the SMILES notation for 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol?
The canonical SMILES for 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol is CC(O)(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol?
The InChIKey is ONYNQIIQAJKWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BFO3/c1-18(2)19(3,4)25-21(24-18)16-12-11-15(13-17(16)22)20(5,23)14-9-7-6-8-10-14/h6-13,23H,1-5H3.
What are the key properties of 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol?
1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol has a molecular weight of 342.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol is sourced from PubChem (CID 66915395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).