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

C22H20O — CID 67993591

IUPAC8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESO=C1Cc2c(cccc2-c2ccccc2)CC12CC1C=CC2C1
InChIInChI=1S/C22H20O/c23-21-12-20-17(14-22(21)13-15-9-10-18(22)11-15)7-4-8-19(20)16-5-2-1-3-6-16/h1-10,15,18H,11-14H2
InChIKeyDLYCLEIXDDAMBJ-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.60
Rot. Bonds1

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

8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one (PubChem CID 67993591) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one.

Molecular Properties

Compound Name8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
PubChem CID67993591
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
SMILESO=C1Cc2c(cccc2-c2ccccc2)CC12CC1C=CC2C1
InChIInChI=1S/C22H20O/c23-21-12-20-17(14-22(21)13-15-9-10-18(22)11-15)7-4-8-19(20)16-5-2-1-3-6-16/h1-10,15,18H,11-14H2
InChIKeyDLYCLEIXDDAMBJ-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(2-methylpropyl)spiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143165
6-methylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67994120
5-methoxyspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993349
7-phenylspiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993811
5-chlorospiro[3,4-dihydronaphthalene-2,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993869
8-propan-2-ylspiro[1,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67143242
spiro[2,3-dihydro-1H-naphthalene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173049305
2'-phenylsulfanylspiro[bicyclo[2.2.1]hept-2-ene-5,5'-cyclopent-2-ene]-1'-one
CID 102154738
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 142671195
(1R,4R,5S)-spiro[bicyclo[2.2.1]hept-2-ene-5,3'-pyrrolidine]-2'-one
CID 100933181
(4-phenylphenyl) 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 68913531

Frequently Asked Questions

What is the IUPAC name of 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The IUPAC name of 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one (CID 67993591) is 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one.
What is the SMILES notation for 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The canonical SMILES for 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one is O=C1Cc2c(cccc2-c2ccccc2)CC12CC1C=CC2C1.
What is the InChIKey of 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
The InChIKey is DLYCLEIXDDAMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c23-21-12-20-17(14-22(21)13-15-9-10-18(22)11-15)7-4-8-19(20)16-5-2-1-3-6-16/h1-10,15,18H,11-14H2.
What are the key properties of 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one?
8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one has a molecular weight of 300.40 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-2-one is sourced from PubChem (CID 67993591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).