2-(1-phenylethenyl)-1,3,2-dioxaborolane

C10H11BO2 — CID 11286739

IUPAC2-(1-phenylethenyl)-1,3,2-dioxaborolane
SMILESC=C(B1OCCO1)c1ccccc1
InChIInChI=1S/C10H11BO2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyGORUKFDUSYZMGY-UHFFFAOYSA-N
MW174.01 g/mol
LogP1.77
Rot. Bonds2

About 2-(1-phenylethenyl)-1,3,2-dioxaborolane

2-(1-phenylethenyl)-1,3,2-dioxaborolane (PubChem CID 11286739) has the molecular formula C10H11BO2 and a molecular weight of 174.01 g/mol. Its IUPAC name is 2-(1-phenylethenyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-phenylethenyl)-1,3,2-dioxaborolane
PubChem CID11286739
Molecular FormulaC10H11BO2
Molecular Weight174.01 g/mol
Exact Mass174.09
IUPAC Name2-(1-phenylethenyl)-1,3,2-dioxaborolane
SMILESC=C(B1OCCO1)c1ccccc1
InChIInChI=1S/C10H11BO2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,1,7-8H2
InChIKeyGORUKFDUSYZMGY-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.01
LogP ≤ 51.77
H-Bond Donors ≤ 50
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 2-(1-phenylethenyl)-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-phenylethenyl)-1,3,2-dioxaborolane (CID 11286739) is 2-(1-phenylethenyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-phenylethenyl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-phenylethenyl)-1,3,2-dioxaborolane is C=C(B1OCCO1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethenyl)-1,3,2-dioxaborolane?
The InChIKey is GORUKFDUSYZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BO2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6H,1,7-8H2.
What are the key properties of 2-(1-phenylethenyl)-1,3,2-dioxaborolane?
2-(1-phenylethenyl)-1,3,2-dioxaborolane has a molecular weight of 174.01 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 11286739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).