6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]

C21H22O — CID 67994310

IUPAC6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCOc1ccc2cc3c(cc2c1)CC1(CC3)CC2C=CC1C2
InChIInChI=1S/C21H22O/c1-22-20-5-3-15-9-16-6-7-21(12-14-2-4-19(21)8-14)13-18(16)10-17(15)11-20/h2-5,9-11,14,19H,6-8,12-13H2,1H3
InChIKeyUYGIUCYLIDVHKT-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.92
Rot. Bonds1

About 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]

6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] (PubChem CID 67994310) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene].

Molecular Properties

Compound Name6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
PubChem CID67994310
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]
SMILESCOc1ccc2cc3c(cc2c1)CC1(CC3)CC2C=CC1C2
InChIInChI=1S/C21H22O/c1-22-20-5-3-15-9-16-6-7-21(12-14-2-4-19(21)8-14)13-18(16)10-17(15)11-20/h2-5,9-11,14,19H,6-8,12-13H2,1H3
InChIKeyUYGIUCYLIDVHKT-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] 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-methylspiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380628
6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-1-ene]
CID 67994311
7-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380746
6-methoxyspiro[3,4-dihydronaphthalene-1,5'-bicyclo[2.2.1]hept-2-ene]-2-one
CID 67993913
naphthalen-2-yl (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99640270
2-methoxy-N-[(6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,2'-cyclopropane]-1'-yl)methyl]ethanamine
CID 115511120
(1'R,3R)-5-methoxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 97048142
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
6-butan-2-ylspiro[2,3-dihydro-1H-anthracene-4,5'-bicyclo[2.2.1]hept-2-ene]
CID 173380601
(1R,2R,4R)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 11871911
(1R,2R,4S)-N-(4-methoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98122213

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The IUPAC name of 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] (CID 67994310) is 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene].
What is the SMILES notation for 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The canonical SMILES for 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] is COc1ccc2cc3c(cc2c1)CC1(CC3)CC2C=CC1C2.
What is the InChIKey of 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
The InChIKey is UYGIUCYLIDVHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-22-20-5-3-15-9-16-6-7-21(12-14-2-4-19(21)8-14)13-18(16)10-17(15)11-20/h2-5,9-11,14,19H,6-8,12-13H2,1H3.
What are the key properties of 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene]?
6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] has a molecular weight of 290.41 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[2,4-dihydro-1H-anthracene-3,5'-bicyclo[2.2.1]hept-2-ene] is sourced from PubChem (CID 67994310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).