7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene

C22H22 — CID 22482576

IUPAC7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
SMILESCc1cccc2c1C(CCC1C=Cc3cccc(C)c31)C=C2
InChIInChI=1S/C22H22/c1-15-5-3-7-17-9-11-19(21(15)17)13-14-20-12-10-18-8-4-6-16(2)22(18)20/h3-12,19-20H,13-14H2,1-2H3
InChIKeySCOYUNBVJGBMFS-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.00
Rot. Bonds3

About 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene

7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene (PubChem CID 22482576) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene.

Molecular Properties

Compound Name7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
PubChem CID22482576
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene
SMILESCc1cccc2c1C(CCC1C=Cc3cccc(C)c31)C=C2
InChIInChI=1S/C22H22/c1-15-5-3-7-17-9-11-19(21(15)17)13-14-20-12-10-18-8-4-6-16(2)22(18)20/h3-12,19-20H,13-14H2,1-2H3
InChIKeySCOYUNBVJGBMFS-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene?
The IUPAC name of 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene (CID 22482576) is 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene.
What is the SMILES notation for 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene?
The canonical SMILES for 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene is Cc1cccc2c1C(CCC1C=Cc3cccc(C)c31)C=C2.
What is the InChIKey of 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene?
The InChIKey is SCOYUNBVJGBMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-15-5-3-7-17-9-11-19(21(15)17)13-14-20-12-10-18-8-4-6-16(2)22(18)20/h3-12,19-20H,13-14H2,1-2H3.
What are the key properties of 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene?
7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene has a molecular weight of 286.42 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-(7-methyl-1H-inden-1-yl)ethyl]-1H-indene is sourced from PubChem (CID 22482576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).