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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Related Compounds

2-[(1S,2R,3R,4R)-3-phenyl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
CID 101236572
5-bromo-6-phenylbicyclo[2.2.1]hept-2-ene
CID 67143364
7-phenyl-2,5-dioxabicyclo[4.1.0]heptane
CID 12910404
(4S,5S)-4,5-diphenyl-2-[(1R,2S,3S,4S)-3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dioxolane
CID 11810532
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
(1R,2R,4S,5S)-2,4-diphenylbicyclo[3.2.1]oct-6-en-3-one
CID 10978676
(1S,2R,9S,10R)-tetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11095035
(1S,2S,12R,13S,14R)-12-phenyl-4-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-3(11),5,7,9,15-pentaene
CID 102465591
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
2,2,2-trifluoro-1-[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 101128587
(1S,2S,5R,6S,7R)-4-methyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 165340846

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).