6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole

C24H24O2 — CID 67039604

IUPAC6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole
SMILESCC1=Cc2ccccc2C1C(C)(C)C1=C(C)Cc2cc3c(cc21)OCO3
InChIInChI=1S/C24H24O2/c1-14-9-16-7-5-6-8-18(16)22(14)24(3,4)23-15(2)10-17-11-20-21(12-19(17)23)26-13-25-20/h5-9,11-12,22H,10,13H2,1-4H3
InChIKeyRJGHABDBYXYZBM-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.97
Rot. Bonds2

About 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole

6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole (PubChem CID 67039604) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole.

Molecular Properties

Compound Name6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole
PubChem CID67039604
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole
SMILESCC1=Cc2ccccc2C1C(C)(C)C1=C(C)Cc2cc3c(cc21)OCO3
InChIInChI=1S/C24H24O2/c1-14-9-16-7-5-6-8-18(16)22(14)24(3,4)23-15(2)10-17-11-20-21(12-19(17)23)26-13-25-20/h5-9,11-12,22H,10,13H2,1-4H3
InChIKeyRJGHABDBYXYZBM-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.97
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)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole?
The IUPAC name of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole (CID 67039604) is 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole.
What is the SMILES notation for 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole?
The canonical SMILES for 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole is CC1=Cc2ccccc2C1C(C)(C)C1=C(C)Cc2cc3c(cc21)OCO3.
What is the InChIKey of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole?
The InChIKey is RJGHABDBYXYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-14-9-16-7-5-6-8-18(16)22(14)24(3,4)23-15(2)10-17-11-20-21(12-19(17)23)26-13-25-20/h5-9,11-12,22H,10,13H2,1-4H3.
What are the key properties of 6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole?
6-methyl-7-[2-(2-methyl-1H-inden-1-yl)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole has a molecular weight of 344.45 g/mol, XLogP of 5.97, 2 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)propan-2-yl]-5H-cyclopenta[f][1,3]benzodioxole is sourced from PubChem (CID 67039604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).