(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid

C14H14BFO4 — CID 164896021

IUPAC(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
SMILESCOc1cc(F)cc(B(O)O)c1OCc1ccccc1
InChIInChI=1S/C14H14BFO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h2-8,17-18H,9H2,1H3
InChIKeyIJNWNJBVGARZIU-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.09
Rot. Bonds5

About (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid

(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid (PubChem CID 164896021) has the molecular formula C14H14BFO4 and a molecular weight of 276.07 g/mol. Its IUPAC name is (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
PubChem CID164896021
Molecular FormulaC14H14BFO4
Molecular Weight276.07 g/mol
Exact Mass276.10
IUPAC Name(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
SMILESCOc1cc(F)cc(B(O)O)c1OCc1ccccc1
InChIInChI=1S/C14H14BFO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h2-8,17-18H,9H2,1H3
InChIKeyIJNWNJBVGARZIU-UHFFFAOYSA-N
XLogP1.09
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
(3,5-dimethoxy-4-phenylmethoxyphenoxy)boronic acid
CID 22933086
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(1-phenylmethoxynaphthalen-2-yl)boronic acid
CID 10755032
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
(3-ethoxy-5-formyl-2-phenylmethoxyphenyl)boronic acid
CID 167726759
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid (CID 164896021) is (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid is COc1cc(F)cc(B(O)O)c1OCc1ccccc1.
What is the InChIKey of (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid?
The InChIKey is IJNWNJBVGARZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BFO4/c1-19-13-8-11(16)7-12(15(17)18)14(13)20-9-10-5-3-2-4-6-10/h2-8,17-18H,9H2,1H3.
What are the key properties of (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid?
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid has a molecular weight of 276.07 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 164896021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).