7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one

C21H20O2 — CID 67993705

IUPAC7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCOc1ccc2cc3c(cc2c1)C1(CC2=CCC1C2)C(=O)CC3
InChIInChI=1S/C21H20O2/c1-23-18-6-3-14-9-15-4-7-20(22)21(19(15)11-16(14)10-18)12-13-2-5-17(21)8-13/h2-3,6,9-11,17H,4-5,7-8,12H2,1H3
InChIKeyOIYWGVGLXMKJSR-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.34
Rot. Bonds1

About 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one

7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (PubChem CID 67993705) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.

Molecular Properties

Compound Name7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
PubChem CID67993705
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
SMILESCOc1ccc2cc3c(cc2c1)C1(CC2=CCC1C2)C(=O)CC3
InChIInChI=1S/C21H20O2/c1-23-18-6-3-14-9-15-4-7-20(22)21(19(15)11-16(14)10-18)12-13-2-5-17(21)8-13/h2-3,6,9-11,17H,4-5,7-8,12H2,1H3
InChIKeyOIYWGVGLXMKJSR-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143267
6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 67994311
6-phenylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993629
5-cyclohexylspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143994
8-propan-2-ylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67143181
5-butylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993930
spiro[7,8-dihydro-6H-anthracene-5,5'-bicyclo[2.2.1]hept-1-ene]-2-amine
CID 67994387
6-methoxyspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993913
6-cyclohexylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-1-ene]
CID 173380570
7-ethylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67994222
7-aminospiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993823
2-(4-chlorophenyl)-7-methoxynaphthalene
CID 54239176

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The IUPAC name of 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one (CID 67993705) is 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one.
What is the SMILES notation for 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The canonical SMILES for 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is COc1ccc2cc3c(cc2c1)C1(CC2=CCC1C2)C(=O)CC3.
What is the InChIKey of 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
The InChIKey is OIYWGVGLXMKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-23-18-6-3-14-9-15-4-7-20(22)21(19(15)11-16(14)10-18)12-13-2-5-17(21)8-13/h2-3,6,9-11,17H,4-5,7-8,12H2,1H3.
What are the key properties of 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one?
7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one has a molecular weight of 304.39 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3,4-dihydroanthracene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one is sourced from PubChem (CID 67993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).