8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

C22H20O — CID 67994014

IUPAC8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESO=C1CCC2(CC3=CCC2C3)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C22H20O/c23-20-11-12-22(14-15-9-10-17(22)13-15)19-8-4-7-18(21(19)20)16-5-2-1-3-6-16/h1-9,17H,10-14H2
InChIKeyUNXXHECJCMKEBV-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.31
Rot. Bonds1

About 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one

8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (PubChem CID 67994014) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.

Molecular Properties

Compound Name8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
PubChem CID67994014
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESO=C1CCC2(CC3=CCC2C3)c2cccc(-c3ccccc3)c21
InChIInChI=1S/C22H20O/c23-20-11-12-22(14-15-9-10-17(22)13-15)19-8-4-7-18(21(19)20)16-5-2-1-3-6-16/h1-9,17H,10-14H2
InChIKeyUNXXHECJCMKEBV-UHFFFAOYSA-N
XLogP5.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The IUPAC name of 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one (CID 67994014) is 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one.
What is the SMILES notation for 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The canonical SMILES for 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is O=C1CCC2(CC3=CCC2C3)c2cccc(-c3ccccc3)c21.
What is the InChIKey of 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The InChIKey is UNXXHECJCMKEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c23-20-11-12-22(14-15-9-10-17(22)13-15)19-8-4-7-18(21(19)20)16-5-2-1-3-6-16/h1-9,17H,10-14H2.
What are the key properties of 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one has a molecular weight of 300.40 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one is sourced from PubChem (CID 67994014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).