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

C15H22BFO4 — CID 164893130

IUPAC2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOc1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C15H22BFO4/c1-7-19-12-9-10(18-6)8-11(13(12)17)16-20-14(2,3)15(4,5)21-16/h8-9H,7H2,1-6H3
InChIKeyGUXDGOWXDKYWMJ-UHFFFAOYSA-N
MW296.15 g/mol
LogP2.53
Rot. Bonds4

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

2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164893130) has the molecular formula C15H22BFO4 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164893130
Molecular FormulaC15H22BFO4
Molecular Weight296.15 g/mol
Exact Mass296.16
IUPAC Name2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCOc1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C15H22BFO4/c1-7-19-12-9-10(18-6)8-11(13(12)17)16-20-14(2,3)15(4,5)21-16/h8-9H,7H2,1-6H3
InChIKeyGUXDGOWXDKYWMJ-UHFFFAOYSA-N
XLogP2.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156807681
3-ethoxy-2-fluoro-5-methoxyaniline
CID 18444807
CID 136702031
CID 136702031
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
methyl 4-fluoro-3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 166595124
2-(2-ethoxy-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987094
2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171
2-(6-bromo-3-ethoxy-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164512724
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 90286437
2-(2-ethyl-4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121232302
2-bromo-1,3,5-trimethoxybenzene;4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane
CID 159386589

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164893130) is 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCOc1cc(OC)cc(B2OC(C)(C)C(C)(C)O2)c1F.
What is the InChIKey of 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GUXDGOWXDKYWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BFO4/c1-7-19-12-9-10(18-6)8-11(13(12)17)16-20-14(2,3)15(4,5)21-16/h8-9H,7H2,1-6H3.
What are the key properties of 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 296.15 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-2-fluoro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164893130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).