[2-(methoxymethoxy)-3-methylphenyl]boronic acid

C9H13BO4 — CID 44517875

IUPAC[2-(methoxymethoxy)-3-methylphenyl]boronic acid
SMILESCOCOc1c(C)cccc1B(O)O
InChIInChI=1S/C9H13BO4/c1-7-4-3-5-8(10(11)12)9(7)14-6-13-2/h3-5,11-12H,6H2,1-2H3
InChIKeyWURJKMIOEBCCJN-UHFFFAOYSA-N
MW196.01 g/mol
LogP-0.34
Rot. Bonds4

About [2-(methoxymethoxy)-3-methylphenyl]boronic acid

[2-(methoxymethoxy)-3-methylphenyl]boronic acid (PubChem CID 44517875) has the molecular formula C9H13BO4 and a molecular weight of 196.01 g/mol. Its IUPAC name is [2-(methoxymethoxy)-3-methylphenyl]boronic acid.

Molecular Properties

Compound Name[2-(methoxymethoxy)-3-methylphenyl]boronic acid
PubChem CID44517875
Molecular FormulaC9H13BO4
Molecular Weight196.01 g/mol
Exact Mass196.09
IUPAC Name[2-(methoxymethoxy)-3-methylphenyl]boronic acid
SMILESCOCOc1c(C)cccc1B(O)O
InChIInChI=1S/C9H13BO4/c1-7-4-3-5-8(10(11)12)9(7)14-6-13-2/h3-5,11-12H,6H2,1-2H3
InChIKeyWURJKMIOEBCCJN-UHFFFAOYSA-N
XLogP-0.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methoxymethane;(2-methylphenyl)boronic acid
CID 153370115
4-[2-(methoxymethoxy)-3-methylphenyl]piperazine-1-carbaldehyde
CID 178181442
2-fluoro-3-(methoxymethoxy)-1,4-dimethylbenzene
CID 164891583
N-[[2-(methoxymethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112610137
9,10-bis(methoxymethoxy)anthracene
CID 150706504
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
[3-(2-methoxyethoxy)-2-methylphenyl]boronic acid
CID 131700786
[4-(methoxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium
CID 164717649
1,5-bis(methoxymethoxy)-2-methylanthracene
CID 11186038

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethoxy)-3-methylphenyl]boronic acid?
The IUPAC name of [2-(methoxymethoxy)-3-methylphenyl]boronic acid (CID 44517875) is [2-(methoxymethoxy)-3-methylphenyl]boronic acid.
What is the SMILES notation for [2-(methoxymethoxy)-3-methylphenyl]boronic acid?
The canonical SMILES for [2-(methoxymethoxy)-3-methylphenyl]boronic acid is COCOc1c(C)cccc1B(O)O.
What is the InChIKey of [2-(methoxymethoxy)-3-methylphenyl]boronic acid?
The InChIKey is WURJKMIOEBCCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO4/c1-7-4-3-5-8(10(11)12)9(7)14-6-13-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of [2-(methoxymethoxy)-3-methylphenyl]boronic acid?
[2-(methoxymethoxy)-3-methylphenyl]boronic acid has a molecular weight of 196.01 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethoxy)-3-methylphenyl]boronic acid is sourced from PubChem (CID 44517875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).