(4-ethoxy-2,5-dimethylphenyl)boronic acid

C10H15BO3 — CID 44558120

IUPAC(4-ethoxy-2,5-dimethylphenyl)boronic acid
SMILESCCOc1cc(C)c(B(O)O)cc1C
InChIInChI=1S/C10H15BO3/c1-4-14-10-6-7(2)9(11(12)13)5-8(10)3/h5-6,12-13H,4H2,1-3H3
InChIKeyLCSUJJZAQIIJTR-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.38
Rot. Bonds3

About (4-ethoxy-2,5-dimethylphenyl)boronic acid

(4-ethoxy-2,5-dimethylphenyl)boronic acid (PubChem CID 44558120) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is (4-ethoxy-2,5-dimethylphenyl)boronic acid.

Molecular Properties

Compound Name(4-ethoxy-2,5-dimethylphenyl)boronic acid
PubChem CID44558120
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Name(4-ethoxy-2,5-dimethylphenyl)boronic acid
SMILESCCOc1cc(C)c(B(O)O)cc1C
InChIInChI=1S/C10H15BO3/c1-4-14-10-6-7(2)9(11(12)13)5-8(10)3/h5-6,12-13H,4H2,1-3H3
InChIKeyLCSUJJZAQIIJTR-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
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

1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
2-ethoxy-4,5-dimethylphenol
CID 82053903
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
(2-ethoxyphenyl)boronic acid
CID 2734902
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
(2,5-diethoxyphenyl)boronic acid
CID 45094210
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,5-dimethylphenyl)boronic acid?
The IUPAC name of (4-ethoxy-2,5-dimethylphenyl)boronic acid (CID 44558120) is (4-ethoxy-2,5-dimethylphenyl)boronic acid.
What is the SMILES notation for (4-ethoxy-2,5-dimethylphenyl)boronic acid?
The canonical SMILES for (4-ethoxy-2,5-dimethylphenyl)boronic acid is CCOc1cc(C)c(B(O)O)cc1C.
What is the InChIKey of (4-ethoxy-2,5-dimethylphenyl)boronic acid?
The InChIKey is LCSUJJZAQIIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3/c1-4-14-10-6-7(2)9(11(12)13)5-8(10)3/h5-6,12-13H,4H2,1-3H3.
What are the key properties of (4-ethoxy-2,5-dimethylphenyl)boronic acid?
(4-ethoxy-2,5-dimethylphenyl)boronic acid has a molecular weight of 194.04 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,5-dimethylphenyl)boronic acid is sourced from PubChem (CID 44558120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).