ethoxy-[4-(methoxymethyl)phenyl]borinic acid

C10H15BO3 — CID 69397553

IUPACethoxy-[4-(methoxymethyl)phenyl]borinic acid
SMILESCCOB(O)c1ccc(COC)cc1
InChIInChI=1S/C10H15BO3/c1-3-14-11(12)10-6-4-9(5-7-10)8-13-2/h4-7,12H,3,8H2,1-2H3
InChIKeyGKXSTCMQIQPHGS-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.56
Rot. Bonds5

About ethoxy-[4-(methoxymethyl)phenyl]borinic acid

ethoxy-[4-(methoxymethyl)phenyl]borinic acid (PubChem CID 69397553) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is ethoxy-[4-(methoxymethyl)phenyl]borinic acid.

Molecular Properties

Compound Nameethoxy-[4-(methoxymethyl)phenyl]borinic acid
PubChem CID69397553
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Nameethoxy-[4-(methoxymethyl)phenyl]borinic acid
SMILESCCOB(O)c1ccc(COC)cc1
InChIInChI=1S/C10H15BO3/c1-3-14-11(12)10-6-4-9(5-7-10)8-13-2/h4-7,12H,3,8H2,1-2H3
InChIKeyGKXSTCMQIQPHGS-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[4-(methoxymethyl)phenyl]borinic acid?
The IUPAC name of ethoxy-[4-(methoxymethyl)phenyl]borinic acid (CID 69397553) is ethoxy-[4-(methoxymethyl)phenyl]borinic acid.
What is the SMILES notation for ethoxy-[4-(methoxymethyl)phenyl]borinic acid?
The canonical SMILES for ethoxy-[4-(methoxymethyl)phenyl]borinic acid is CCOB(O)c1ccc(COC)cc1.
What is the InChIKey of ethoxy-[4-(methoxymethyl)phenyl]borinic acid?
The InChIKey is GKXSTCMQIQPHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3/c1-3-14-11(12)10-6-4-9(5-7-10)8-13-2/h4-7,12H,3,8H2,1-2H3.
What are the key properties of ethoxy-[4-(methoxymethyl)phenyl]borinic acid?
ethoxy-[4-(methoxymethyl)phenyl]borinic acid has a molecular weight of 194.04 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[4-(methoxymethyl)phenyl]borinic acid is sourced from PubChem (CID 69397553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).