5-benzyl-2,3-dihydro-1H-indene

C16H16 — CID 142307005

IUPAC5-benzyl-2,3-dihydro-1H-indene
SMILESc1ccc(Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H16/c1-2-5-13(6-3-1)11-14-9-10-15-7-4-8-16(15)12-14/h1-3,5-6,9-10,12H,4,7-8,11H2
InChIKeyGPBHQTNHTKCRCN-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.77
Rot. Bonds2

About 5-benzyl-2,3-dihydro-1H-indene

5-benzyl-2,3-dihydro-1H-indene (PubChem CID 142307005) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-benzyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-benzyl-2,3-dihydro-1H-indene
PubChem CID142307005
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name5-benzyl-2,3-dihydro-1H-indene
SMILESc1ccc(Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H16/c1-2-5-13(6-3-1)11-14-9-10-15-7-4-8-16(15)12-14/h1-3,5-6,9-10,12H,4,7-8,11H2
InChIKeyGPBHQTNHTKCRCN-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-benzyl-2,3-dihydro-1H-indene (CID 142307005) is 5-benzyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-benzyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-benzyl-2,3-dihydro-1H-indene is c1ccc(Cc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-benzyl-2,3-dihydro-1H-indene?
The InChIKey is GPBHQTNHTKCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-5-13(6-3-1)11-14-9-10-15-7-4-8-16(15)12-14/h1-3,5-6,9-10,12H,4,7-8,11H2.
What are the key properties of 5-benzyl-2,3-dihydro-1H-indene?
5-benzyl-2,3-dihydro-1H-indene has a molecular weight of 208.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 142307005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).