(2,3,4-trimethylphenyl)methoxyboronic acid

C10H15BO3 — CID 67826553

IUPAC(2,3,4-trimethylphenyl)methoxyboronic acid
SMILESCc1ccc(COB(O)O)c(C)c1C
InChIInChI=1S/C10H15BO3/c1-7-4-5-10(6-14-11(12)13)9(3)8(7)2/h4-5,12-13H,6H2,1-3H3
InChIKeyUASFAKMGHHQILV-UHFFFAOYSA-N
MW194.04 g/mol
LogP1.10
Rot. Bonds3

About (2,3,4-trimethylphenyl)methoxyboronic acid

(2,3,4-trimethylphenyl)methoxyboronic acid (PubChem CID 67826553) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is (2,3,4-trimethylphenyl)methoxyboronic acid.

Molecular Properties

Compound Name(2,3,4-trimethylphenyl)methoxyboronic acid
PubChem CID67826553
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Name(2,3,4-trimethylphenyl)methoxyboronic acid
SMILESCc1ccc(COB(O)O)c(C)c1C
InChIInChI=1S/C10H15BO3/c1-7-4-5-10(6-14-11(12)13)9(3)8(7)2/h4-5,12-13H,6H2,1-3H3
InChIKeyUASFAKMGHHQILV-UHFFFAOYSA-N
XLogP1.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 51.10
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

ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
azane;(2,3,4-trimethylphenyl)methyl benzoate
CID 67826555
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
1,2,3-trimethyl-4-prop-2-ynylbenzene
CID 91806221
3-methyl-2-[(2,3,4-trimethylphenyl)methyl]butanoic acid
CID 116930728
methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate
CID 70617449
1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802357
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569
4-[methyl-[2-(2,3,4-trimethylphenyl)ethyl]amino]butan-1-ol
CID 115217930

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trimethylphenyl)methoxyboronic acid?
The IUPAC name of (2,3,4-trimethylphenyl)methoxyboronic acid (CID 67826553) is (2,3,4-trimethylphenyl)methoxyboronic acid.
What is the SMILES notation for (2,3,4-trimethylphenyl)methoxyboronic acid?
The canonical SMILES for (2,3,4-trimethylphenyl)methoxyboronic acid is Cc1ccc(COB(O)O)c(C)c1C.
What is the InChIKey of (2,3,4-trimethylphenyl)methoxyboronic acid?
The InChIKey is UASFAKMGHHQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3/c1-7-4-5-10(6-14-11(12)13)9(3)8(7)2/h4-5,12-13H,6H2,1-3H3.
What are the key properties of (2,3,4-trimethylphenyl)methoxyboronic acid?
(2,3,4-trimethylphenyl)methoxyboronic acid has a molecular weight of 194.04 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethylphenyl)methoxyboronic acid is sourced from PubChem (CID 67826553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).