[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid

C11H13BO2 — CID 142377841

IUPAC[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
SMILESC=Cc1cc(B(O)O)ccc1/C=C\C
InChIInChI=1S/C11H13BO2/c1-3-5-10-6-7-11(12(13)14)8-9(10)4-2/h3-8,13-14H,2H2,1H3/b5-3-
InChIKeyWWCLKTIWXYQAAE-HYXAFXHYSA-N
MW188.03 g/mol
LogP1.04
Rot. Bonds3

About [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid

[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid (PubChem CID 142377841) has the molecular formula C11H13BO2 and a molecular weight of 188.03 g/mol. Its IUPAC name is [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid.

Molecular Properties

Compound Name[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
PubChem CID142377841
Molecular FormulaC11H13BO2
Molecular Weight188.03 g/mol
Exact Mass188.10
IUPAC Name[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid
SMILESC=Cc1cc(B(O)O)ccc1/C=C\C
InChIInChI=1S/C11H13BO2/c1-3-5-10-6-7-11(12(13)14)8-9(10)4-2/h3-8,13-14H,2H2,1H3/b5-3-
InChIKeyWWCLKTIWXYQAAE-HYXAFXHYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid?
The IUPAC name of [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid (CID 142377841) is [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid.
What is the SMILES notation for [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid?
The canonical SMILES for [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid is C=Cc1cc(B(O)O)ccc1/C=C\C.
What is the InChIKey of [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid?
The InChIKey is WWCLKTIWXYQAAE-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H13BO2/c1-3-5-10-6-7-11(12(13)14)8-9(10)4-2/h3-8,13-14H,2H2,1H3/b5-3-.
What are the key properties of [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid?
[3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid has a molecular weight of 188.03 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-4-[(Z)-prop-1-enyl]phenyl]boronic acid is sourced from PubChem (CID 142377841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).