3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene

C23H24 — CID 18670048

IUPAC3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC1=CC(C(C)(C)C2C=C(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C23H24/c1-15-13-21(19-11-7-5-9-17(15)19)23(3,4)22-14-16(2)18-10-6-8-12-20(18)22/h5-14,21-22H,1-4H3
InChIKeyXCUOALAZVVYMCU-UHFFFAOYSA-N
MW300.44 g/mol
LogP6.41
Rot. Bonds2

About 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene

3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene (PubChem CID 18670048) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene.

Molecular Properties

Compound Name3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
PubChem CID18670048
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
SMILESCC1=CC(C(C)(C)C2C=C(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C23H24/c1-15-13-21(19-11-7-5-9-17(15)19)23(3,4)22-14-16(2)18-10-6-8-12-20(18)22/h5-14,21-22H,1-4H3
InChIKeyXCUOALAZVVYMCU-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The IUPAC name of 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene (CID 18670048) is 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene.
What is the SMILES notation for 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The canonical SMILES for 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene is CC1=CC(C(C)(C)C2C=C(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
The InChIKey is XCUOALAZVVYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24/c1-15-13-21(19-11-7-5-9-17(15)19)23(3,4)22-14-16(2)18-10-6-8-12-20(18)22/h5-14,21-22H,1-4H3.
What are the key properties of 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene?
3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene has a molecular weight of 300.44 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene is sourced from PubChem (CID 18670048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).