phenyl(prop-2-enoxy)borinic acid

C9H11BO2 — CID 67292977

IUPACphenyl(prop-2-enoxy)borinic acid
SMILESC=CCOB(O)c1ccccc1
InChIInChI=1S/C9H11BO2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,11H,1,8H2
InChIKeyQBANIHYEGGUDJA-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.58
Rot. Bonds4

About phenyl(prop-2-enoxy)borinic acid

phenyl(prop-2-enoxy)borinic acid (PubChem CID 67292977) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is phenyl(prop-2-enoxy)borinic acid.

Molecular Properties

Compound Namephenyl(prop-2-enoxy)borinic acid
PubChem CID67292977
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Namephenyl(prop-2-enoxy)borinic acid
SMILESC=CCOB(O)c1ccccc1
InChIInChI=1S/C9H11BO2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,11H,1,8H2
InChIKeyQBANIHYEGGUDJA-UHFFFAOYSA-N
XLogP0.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(prop-2-enoxy)borinic acid?
The IUPAC name of phenyl(prop-2-enoxy)borinic acid (CID 67292977) is phenyl(prop-2-enoxy)borinic acid.
What is the SMILES notation for phenyl(prop-2-enoxy)borinic acid?
The canonical SMILES for phenyl(prop-2-enoxy)borinic acid is C=CCOB(O)c1ccccc1.
What is the InChIKey of phenyl(prop-2-enoxy)borinic acid?
The InChIKey is QBANIHYEGGUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h2-7,11H,1,8H2.
What are the key properties of phenyl(prop-2-enoxy)borinic acid?
phenyl(prop-2-enoxy)borinic acid has a molecular weight of 162.00 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(prop-2-enoxy)borinic acid is sourced from PubChem (CID 67292977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).