1-benzyl-1H-indene

C16H14 — CID 529442

IUPAC1-benzyl-1H-indene
SMILESC1=CC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-11,15H,12H2
InChIKeyNBHBNYRLTADHQY-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.04
Rot. Bonds2

About 1-benzyl-1H-indene

1-benzyl-1H-indene (PubChem CID 529442) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-benzyl-1H-indene.

Molecular Properties

Compound Name1-benzyl-1H-indene
PubChem CID529442
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-benzyl-1H-indene
SMILESC1=CC(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-11,15H,12H2
InChIKeyNBHBNYRLTADHQY-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1H-indene?
The IUPAC name of 1-benzyl-1H-indene (CID 529442) is 1-benzyl-1H-indene.
What is the SMILES notation for 1-benzyl-1H-indene?
The canonical SMILES for 1-benzyl-1H-indene is C1=CC(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 1-benzyl-1H-indene?
The InChIKey is NBHBNYRLTADHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-2-6-13(7-3-1)12-15-11-10-14-8-4-5-9-16(14)15/h1-11,15H,12H2.
What are the key properties of 1-benzyl-1H-indene?
1-benzyl-1H-indene has a molecular weight of 206.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1H-indene is sourced from PubChem (CID 529442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).