[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid

C11H17BO5 — CID 10236170

IUPAC[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid
SMILESCCOCc1cc(OC)c(B(O)O)c(OC)c1
InChIInChI=1S/C11H17BO5/c1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3/h5-6,13-14H,4,7H2,1-3H3
InChIKeyBCMKFWFNEMRLOO-UHFFFAOYSA-N
MW240.06 g/mol
LogP-0.08
Rot. Bonds6

About [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid

[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid (PubChem CID 10236170) has the molecular formula C11H17BO5 and a molecular weight of 240.06 g/mol. Its IUPAC name is [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid
PubChem CID10236170
Molecular FormulaC11H17BO5
Molecular Weight240.06 g/mol
Exact Mass240.12
IUPAC Name[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid
SMILESCCOCc1cc(OC)c(B(O)O)c(OC)c1
InChIInChI=1S/C11H17BO5/c1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3/h5-6,13-14H,4,7H2,1-3H3
InChIKeyBCMKFWFNEMRLOO-UHFFFAOYSA-N
XLogP-0.08
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 5-0.08
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

[4-(hydroxymethyl)-2,6-dimethoxyphenyl]boronic acid
CID 54470355
5-(ethoxymethyl)-2-isocyano-1,3-dimethoxybenzene
CID 177120895
4-(ethoxymethyl)-2-methoxybenzenecarbothioamide
CID 106789106
[2,6-dimethoxy-4-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 18667758
4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane
CID 165079643
4-(ethoxymethoxymethyl)-2-methoxyphenol
CID 46944567
[4-(2-ethoxypropoxymethyl)-2-methoxyphenyl]boronic acid
CID 67394943
(3,4,5-trimethoxyphenyl)methoxymethanol
CID 167081635
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
1-(ethoxymethyl)-4,5,8-trimethoxynaphthalene
CID 139659330

Frequently Asked Questions

What is the IUPAC name of [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid?
The IUPAC name of [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid (CID 10236170) is [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid.
What is the SMILES notation for [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid?
The canonical SMILES for [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid is CCOCc1cc(OC)c(B(O)O)c(OC)c1.
What is the InChIKey of [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid?
The InChIKey is BCMKFWFNEMRLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO5/c1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3/h5-6,13-14H,4,7H2,1-3H3.
What are the key properties of [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid?
[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid has a molecular weight of 240.06 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid is sourced from PubChem (CID 10236170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).