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

C10H15BO5 — CID 164893391

IUPAC(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
SMILESCCOc1cc(OC)c(B(O)O)cc1OC
InChIInChI=1S/C10H15BO5/c1-4-16-10-6-8(14-2)7(11(12)13)5-9(10)15-3/h5-6,12-13H,4H2,1-3H3
InChIKeyFTLAMUBSWWDOGP-UHFFFAOYSA-N
MW226.04 g/mol
LogP-0.22
Rot. Bonds5

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

(4-ethoxy-2,5-dimethoxyphenyl)boronic acid (PubChem CID 164893391) has the molecular formula C10H15BO5 and a molecular weight of 226.04 g/mol. Its IUPAC name is (4-ethoxy-2,5-dimethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
PubChem CID164893391
Molecular FormulaC10H15BO5
Molecular Weight226.04 g/mol
Exact Mass226.10
IUPAC Name(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
SMILESCCOc1cc(OC)c(B(O)O)cc1OC
InChIInChI=1S/C10H15BO5/c1-4-16-10-6-8(14-2)7(11(12)13)5-9(10)15-3/h5-6,12-13H,4H2,1-3H3
InChIKeyFTLAMUBSWWDOGP-UHFFFAOYSA-N
XLogP-0.22
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.04
LogP ≤ 5-0.22
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

(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
(2,5-diethoxyphenyl)boronic acid
CID 45094210
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
1-ethoxy-4-methoxy-3,6-di(propan-2-ylidene)cyclohexa-1,4-diene
CID 138515541
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
(2-ethoxyphenyl)boronic acid
CID 2734902
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2,5-dimethoxyphenyl)boronic acid?
The IUPAC name of (4-ethoxy-2,5-dimethoxyphenyl)boronic acid (CID 164893391) is (4-ethoxy-2,5-dimethoxyphenyl)boronic acid.
What is the SMILES notation for (4-ethoxy-2,5-dimethoxyphenyl)boronic acid?
The canonical SMILES for (4-ethoxy-2,5-dimethoxyphenyl)boronic acid is CCOc1cc(OC)c(B(O)O)cc1OC.
What is the InChIKey of (4-ethoxy-2,5-dimethoxyphenyl)boronic acid?
The InChIKey is FTLAMUBSWWDOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO5/c1-4-16-10-6-8(14-2)7(11(12)13)5-9(10)15-3/h5-6,12-13H,4H2,1-3H3.
What are the key properties of (4-ethoxy-2,5-dimethoxyphenyl)boronic acid?
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid has a molecular weight of 226.04 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2,5-dimethoxyphenyl)boronic acid is sourced from PubChem (CID 164893391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).