2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane

C16H18O2 — CID 72810386

IUPAC2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
SMILESC1=CC2CC1C(c1ccccc1)C2C1OCCO1
InChIInChI=1S/C16H18O2/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)16-17-8-9-18-16/h1-7,12-16H,8-10H2
InChIKeyHAVFBAQISLNAGB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.97
Rot. Bonds2

About 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane

2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane (PubChem CID 72810386) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
PubChem CID72810386
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane
SMILESC1=CC2CC1C(c1ccccc1)C2C1OCCO1
InChIInChI=1S/C16H18O2/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)16-17-8-9-18-16/h1-7,12-16H,8-10H2
InChIKeyHAVFBAQISLNAGB-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane?
The IUPAC name of 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane (CID 72810386) is 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane is C1=CC2CC1C(c1ccccc1)C2C1OCCO1.
What is the InChIKey of 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane?
The InChIKey is HAVFBAQISLNAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)16-17-8-9-18-16/h1-7,12-16H,8-10H2.
What are the key properties of 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane?
2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane has a molecular weight of 242.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxolane is sourced from PubChem (CID 72810386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).