6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole

C23H22O2 — CID 87245672

IUPAC6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole
SMILESCC1=Cc2ccccc2C1CCC1=C(C)C=C2C=C3OCOC3C=C21
InChIInChI=1S/C23H22O2/c1-14-9-16-5-3-4-6-20(16)18(14)7-8-19-15(2)10-17-11-22-23(12-21(17)19)25-13-24-22/h3-6,9-12,18,23H,7-8,13H2,1-2H3
InChIKeyZWRJAUVYJOYGPV-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.42
Rot. Bonds3

About 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole

6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole (PubChem CID 87245672) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole.

Molecular Properties

Compound Name6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole
PubChem CID87245672
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole
SMILESCC1=Cc2ccccc2C1CCC1=C(C)C=C2C=C3OCOC3C=C21
InChIInChI=1S/C23H22O2/c1-14-9-16-5-3-4-6-20(16)18(14)7-8-19-15(2)10-17-11-22-23(12-21(17)19)25-13-24-22/h3-6,9-12,18,23H,7-8,13H2,1-2H3
InChIKeyZWRJAUVYJOYGPV-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole?
The IUPAC name of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole (CID 87245672) is 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole.
What is the SMILES notation for 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole?
The canonical SMILES for 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole is CC1=Cc2ccccc2C1CCC1=C(C)C=C2C=C3OCOC3C=C21.
What is the InChIKey of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole?
The InChIKey is ZWRJAUVYJOYGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-14-9-16-5-3-4-6-20(16)18(14)7-8-19-15(2)10-17-11-22-23(12-21(17)19)25-13-24-22/h3-6,9-12,18,23H,7-8,13H2,1-2H3.
What are the key properties of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole?
6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole has a molecular weight of 330.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)ethyl]-8aH-cyclopenta[f][1,3]benzodioxole is sourced from PubChem (CID 87245672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).