[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid

C16H19BO3 — CID 83140673

IUPAC[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
SMILESCCc1ccc(COc2ccc(B(O)O)c(C)c2)cc1
InChIInChI=1S/C16H19BO3/c1-3-13-4-6-14(7-5-13)11-20-15-8-9-16(17(18)19)12(2)10-15/h4-10,18-19H,3,11H2,1-2H3
InChIKeyNCCCJJGOKVOAFF-UHFFFAOYSA-N
MW270.14 g/mol
LogP1.82
Rot. Bonds5

About [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid

[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid (PubChem CID 83140673) has the molecular formula C16H19BO3 and a molecular weight of 270.14 g/mol. Its IUPAC name is [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
PubChem CID83140673
Molecular FormulaC16H19BO3
Molecular Weight270.14 g/mol
Exact Mass270.14
IUPAC Name[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
SMILESCCc1ccc(COc2ccc(B(O)O)c(C)c2)cc1
InChIInChI=1S/C16H19BO3/c1-3-13-4-6-14(7-5-13)11-20-15-8-9-16(17(18)19)12(2)10-15/h4-10,18-19H,3,11H2,1-2H3
InChIKeyNCCCJJGOKVOAFF-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
[2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boronic acid
CID 83140753
[4-[(3-cyano-4-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 107882715
3-[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137255
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
[2-methyl-4-(2-methylbutoxy)phenyl]boronic acid
CID 83141077
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
CID 83136870
[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenyl]boronic acid
CID 83136882
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
2-[[3-[(4-ethylphenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid
CID 22241581
[2-methyl-4-(2-methylsulfonylethoxy)phenyl]boronic acid
CID 83140998

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid?
The IUPAC name of [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid (CID 83140673) is [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid.
What is the SMILES notation for [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid?
The canonical SMILES for [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid is CCc1ccc(COc2ccc(B(O)O)c(C)c2)cc1.
What is the InChIKey of [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid?
The InChIKey is NCCCJJGOKVOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO3/c1-3-13-4-6-14(7-5-13)11-20-15-8-9-16(17(18)19)12(2)10-15/h4-10,18-19H,3,11H2,1-2H3.
What are the key properties of [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid?
[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid has a molecular weight of 270.14 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid is sourced from PubChem (CID 83140673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).