(4-prop-2-enylphenyl)boronic acid

C9H11BO2 — CID 21186363

IUPAC(4-prop-2-enylphenyl)boronic acid
SMILESC=CCc1ccc(B(O)O)cc1
InChIInChI=1S/C9H11BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7,11-12H,1,3H2
InChIKeyIPVFCMQTGYFNAN-UHFFFAOYSA-N
MW162.00 g/mol
LogP0.09
Rot. Bonds3

About (4-prop-2-enylphenyl)boronic acid

(4-prop-2-enylphenyl)boronic acid (PubChem CID 21186363) has the molecular formula C9H11BO2 and a molecular weight of 162.00 g/mol. Its IUPAC name is (4-prop-2-enylphenyl)boronic acid.

Molecular Properties

Compound Name(4-prop-2-enylphenyl)boronic acid
PubChem CID21186363
Molecular FormulaC9H11BO2
Molecular Weight162.00 g/mol
Exact Mass162.09
IUPAC Name(4-prop-2-enylphenyl)boronic acid
SMILESC=CCc1ccc(B(O)O)cc1
InChIInChI=1S/C9H11BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7,11-12H,1,3H2
InChIKeyIPVFCMQTGYFNAN-UHFFFAOYSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.00
LogP ≤ 50.09
H-Bond Donors ≤ 52
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 (4-prop-2-enylphenyl)boronic acid?
The IUPAC name of (4-prop-2-enylphenyl)boronic acid (CID 21186363) is (4-prop-2-enylphenyl)boronic acid.
What is the SMILES notation for (4-prop-2-enylphenyl)boronic acid?
The canonical SMILES for (4-prop-2-enylphenyl)boronic acid is C=CCc1ccc(B(O)O)cc1.
What is the InChIKey of (4-prop-2-enylphenyl)boronic acid?
The InChIKey is IPVFCMQTGYFNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7,11-12H,1,3H2.
What are the key properties of (4-prop-2-enylphenyl)boronic acid?
(4-prop-2-enylphenyl)boronic acid has a molecular weight of 162.00 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enylphenyl)boronic acid is sourced from PubChem (CID 21186363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).