4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one

C24H26O2 — CID 57180286

IUPAC4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1ccc(CCc2ccc(C)c3c2CC(C)C3=O)c2c1C(=O)C(C)C2
InChIInChI=1S/C24H26O2/c1-13-5-7-17(19-11-15(3)23(25)21(13)19)9-10-18-8-6-14(2)22-20(18)12-16(4)24(22)26/h5-8,15-16H,9-12H2,1-4H3
InChIKeyIZQOSDLBBDOLNK-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.84
Rot. Bonds3

About 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one

4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one (PubChem CID 57180286) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one
PubChem CID57180286
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one
SMILESCc1ccc(CCc2ccc(C)c3c2CC(C)C3=O)c2c1C(=O)C(C)C2
InChIInChI=1S/C24H26O2/c1-13-5-7-17(19-11-15(3)23(25)21(13)19)9-10-18-8-6-14(2)22-20(18)12-16(4)24(22)26/h5-8,15-16H,9-12H2,1-4H3
InChIKeyIZQOSDLBBDOLNK-UHFFFAOYSA-N
XLogP4.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one (CID 57180286) is 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one is Cc1ccc(CCc2ccc(C)c3c2CC(C)C3=O)c2c1C(=O)C(C)C2.
What is the InChIKey of 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one?
The InChIKey is IZQOSDLBBDOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2/c1-13-5-7-17(19-11-15(3)23(25)21(13)19)9-10-18-8-6-14(2)22-20(18)12-16(4)24(22)26/h5-8,15-16H,9-12H2,1-4H3.
What are the key properties of 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one?
4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 346.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 57180286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).