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

C23H24O — CID 67993801

IUPAC6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCCCc1ccc2cc3c(cc2c1)CC1(CC3=O)CC2=CCC1C2
InChIInChI=1S/C23H24O/c1-2-3-15-4-6-17-11-21-19(10-18(17)8-15)13-23(14-22(21)24)12-16-5-7-20(23)9-16/h4-6,8,10-11,20H,2-3,7,9,12-14H2,1H3
InChIKeyQJXPXWDOAXMORB-UHFFFAOYSA-N
MW316.44 g/mol
LogP5.65
Rot. Bonds2

About 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one

6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one (PubChem CID 67993801) has the molecular formula C23H24O and a molecular weight of 316.44 g/mol. Its IUPAC name is 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one.

Molecular Properties

Compound Name6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
PubChem CID67993801
Molecular FormulaC23H24O
Molecular Weight316.44 g/mol
Exact Mass316.18
IUPAC Name6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one
SMILESCCCc1ccc2cc3c(cc2c1)CC1(CC3=O)CC2=CCC1C2
InChIInChI=1S/C23H24O/c1-2-3-15-4-6-17-11-21-19(10-18(17)8-15)13-23(14-22(21)24)12-16-5-7-20(23)9-16/h4-6,8,10-11,20H,2-3,7,9,12-14H2,1H3
InChIKeyQJXPXWDOAXMORB-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-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-ethylspiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67994222
6-propylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993685
6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 67994311
6-butylspiro[2,3-dihydronaphthalene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67994170
6-cyclohexylspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 123151162
7-ethylspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993723
5-propylspiro[1,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993316
7-aminospiro[1,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-2-one
CID 67993823
2-methyl-7-propylnaphthalene
CID 59912073
6-aminospiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67993964
6-butylspiro[2,4-dihydronaphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]-1-one
CID 67993381
7-aminospiro[2,3-dihydroanthracene-4,5'-bicyclo[2.2.1]hept-1-ene]-1-one
CID 67994046

Frequently Asked Questions

What is the IUPAC name of 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The IUPAC name of 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one (CID 67993801) is 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one.
What is the SMILES notation for 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The canonical SMILES for 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one is CCCc1ccc2cc3c(cc2c1)CC1(CC3=O)CC2=CCC1C2.
What is the InChIKey of 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
The InChIKey is QJXPXWDOAXMORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c1-2-3-15-4-6-17-11-21-19(10-18(17)8-15)13-23(14-22(21)24)12-16-5-7-20(23)9-16/h4-6,8,10-11,20H,2-3,7,9,12-14H2,1H3.
What are the key properties of 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one?
6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one has a molecular weight of 316.44 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylspiro[2,4-dihydroanthracene-3,5'-bicyclo[2.2.1]hept-1-ene]-1-one is sourced from PubChem (CID 67993801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).