[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid

C15H18BNO4 — CID 83136870

IUPAC[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
SMILESCOc1cc(C)nc(COc2ccc(B(O)O)c(C)c2)c1
InChIInChI=1S/C15H18BNO4/c1-10-6-13(4-5-15(10)16(18)19)21-9-12-8-14(20-3)7-11(2)17-12/h4-8,18-19H,9H2,1-3H3
InChIKeyUASHPBZZULQWIW-UHFFFAOYSA-N
MW287.12 g/mol
LogP0.97
Rot. Bonds5

About [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid

[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid (PubChem CID 83136870) has the molecular formula C15H18BNO4 and a molecular weight of 287.12 g/mol. Its IUPAC name is [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
PubChem CID83136870
Molecular FormulaC15H18BNO4
Molecular Weight287.12 g/mol
Exact Mass287.13
IUPAC Name[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid
SMILESCOc1cc(C)nc(COc2ccc(B(O)O)c(C)c2)c1
InChIInChI=1S/C15H18BNO4/c1-10-6-13(4-5-15(10)16(18)19)21-9-12-8-14(20-3)7-11(2)17-12/h4-8,18-19H,9H2,1-3H3
InChIKeyUASHPBZZULQWIW-UHFFFAOYSA-N
XLogP0.97
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-3-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 83133204
2-amino-5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107076898
(1S)-1-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 82892794
2-[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 103887327
[2-fluoro-4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 82891533
2-[(5-chloro-2-methylphenoxy)methyl]-4-methoxy-6-methylpyridine
CID 82895251
5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684595
5-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]aniline
CID 82891995
2-[[2-(chloromethyl)-5-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82885946
[4-[(4-ethylphenyl)methoxy]-2-methylphenyl]boronic acid
CID 83140673
O-[(4-methoxy-6-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82893104
2-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]-4-methoxy-6-methylpyridine
CID 82888902

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid?
The IUPAC name of [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid (CID 83136870) is [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid.
What is the SMILES notation for [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid?
The canonical SMILES for [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid is COc1cc(C)nc(COc2ccc(B(O)O)c(C)c2)c1.
What is the InChIKey of [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid?
The InChIKey is UASHPBZZULQWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BNO4/c1-10-6-13(4-5-15(10)16(18)19)21-9-12-8-14(20-3)7-11(2)17-12/h4-8,18-19H,9H2,1-3H3.
What are the key properties of [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid?
[4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid has a molecular weight of 287.12 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2-methylphenyl]boronic acid is sourced from PubChem (CID 83136870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).