(2,5-diethoxyphenyl)boronic acid

C10H15BO4 — CID 45094210

IUPAC(2,5-diethoxyphenyl)boronic acid
SMILESCCOc1ccc(OCC)c(B(O)O)c1
InChIInChI=1S/C10H15BO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7,12-13H,3-4H2,1-2H3
InChIKeyKKXIRRFIDNBKJL-UHFFFAOYSA-N
MW210.04 g/mol
LogP0.16
Rot. Bonds5

About (2,5-diethoxyphenyl)boronic acid

(2,5-diethoxyphenyl)boronic acid (PubChem CID 45094210) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is (2,5-diethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2,5-diethoxyphenyl)boronic acid
PubChem CID45094210
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name(2,5-diethoxyphenyl)boronic acid
SMILESCCOc1ccc(OCC)c(B(O)O)c1
InChIInChI=1S/C10H15BO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7,12-13H,3-4H2,1-2H3
InChIKeyKKXIRRFIDNBKJL-UHFFFAOYSA-N
XLogP0.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-diethoxyphenyl)ethanone
CID 4075332
(2-ethoxyphenyl)boronic acid
CID 2734902
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
(5-methoxy-2-pentoxyphenyl)boronic acid
CID 104706038
[4-ethoxy-2-(trifluoromethyl)phenoxy]boronic acid
CID 22035006
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
CID 131845103
1-chloro-1-(2,5-diethoxyphenyl)propan-2-one
CID 166641878
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372
[5-ethoxy-2-(trifluoromethoxy)phenoxy]boronic acid
CID 142787488

Frequently Asked Questions

What is the IUPAC name of (2,5-diethoxyphenyl)boronic acid?
The IUPAC name of (2,5-diethoxyphenyl)boronic acid (CID 45094210) is (2,5-diethoxyphenyl)boronic acid.
What is the SMILES notation for (2,5-diethoxyphenyl)boronic acid?
The canonical SMILES for (2,5-diethoxyphenyl)boronic acid is CCOc1ccc(OCC)c(B(O)O)c1.
What is the InChIKey of (2,5-diethoxyphenyl)boronic acid?
The InChIKey is KKXIRRFIDNBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-3-14-8-5-6-10(15-4-2)9(7-8)11(12)13/h5-7,12-13H,3-4H2,1-2H3.
What are the key properties of (2,5-diethoxyphenyl)boronic acid?
(2,5-diethoxyphenyl)boronic acid has a molecular weight of 210.04 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethoxyphenyl)boronic acid is sourced from PubChem (CID 45094210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).