1-Methyl-3-phenylindane

C₁₆H₁₆ — CID 22924

About 1-Methyl-3-phenylindane

1-Methyl-3-phenylindane (PubChem CID 22924) has the molecular formula C₁₆H₁₆ and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-3-phenyl-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: 1-Methyl-3-phenylindane
• PubChem CID: 22924
• Molecular Formula: C₁₆H₁₆
• Molecular Weight: 208.30 g/mol
• Exact Mass: 208.13
• IUPAC Name: 1-methyl-3-phenyl-2,3-dihydro-1H-indene
• SMILES: CC1CC(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3
• InChIKey: JHIDJKSBZPNVKZ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 0.00 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.30
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-Methyl-3-phenylindane?

The IUPAC name of 1-Methyl-3-phenylindane (CID 22924) is 1-methyl-3-phenyl-2,3-dihydro-1H-indene.

What is the SMILES notation for 1-Methyl-3-phenylindane?

The canonical SMILES for 1-Methyl-3-phenylindane is CC1CC(c2ccccc2)c2ccccc21.

What is the InChIKey of 1-Methyl-3-phenylindane?

The InChIKey is JHIDJKSBZPNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-12-11-16(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-10,12,16H,11H2,1H3.

What are the key properties of 1-Methyl-3-phenylindane?

1-Methyl-3-phenylindane has a molecular weight of 208.30 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-Methyl-3-phenylindane is sourced from PubChem (CID 22924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22924 — identifiers, structure, computed properties (public domain)

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