5-benzyl-2-methyl-1H-indene

C17H16 — CID 139825397

IUPAC5-benzyl-2-methyl-1H-indene
SMILESCC1=Cc2cc(Cc3ccccc3)ccc2C1
InChIInChI=1S/C17H16/c1-13-9-16-8-7-15(12-17(16)10-13)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3
InChIKeyXGUSBXOBDJEAAS-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.24
Rot. Bonds2

About 5-benzyl-2-methyl-1H-indene

5-benzyl-2-methyl-1H-indene (PubChem CID 139825397) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1H-indene.

Molecular Properties

Compound Name5-benzyl-2-methyl-1H-indene
PubChem CID139825397
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name5-benzyl-2-methyl-1H-indene
SMILESCC1=Cc2cc(Cc3ccccc3)ccc2C1
InChIInChI=1S/C17H16/c1-13-9-16-8-7-15(12-17(16)10-13)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3
InChIKeyXGUSBXOBDJEAAS-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-benzyl-2,3-dihydro-1H-indene
CID 142307005
3-benzyl-9H-fluorene
CID 57310019
2-[[3-[[3-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]-1H-indene
CID 165066189
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
5-tert-butyl-2-methyl-1H-indene
CID 18314754
ethane;2-methyl-1H-indene
CID 54388135
2,6-dimethyl-1,7-dihydro-s-indacene
CID 12975727
7-benzyl-2,4-dihydro-1H-isoquinolin-3-one
CID 139839851
5-methoxy-2-methyl-1H-indene
CID 12616525
2,5-dimethyl-1H-indene;2,6-dimethyl-1H-indene
CID 90832270
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1H-indene?
The IUPAC name of 5-benzyl-2-methyl-1H-indene (CID 139825397) is 5-benzyl-2-methyl-1H-indene.
What is the SMILES notation for 5-benzyl-2-methyl-1H-indene?
The canonical SMILES for 5-benzyl-2-methyl-1H-indene is CC1=Cc2cc(Cc3ccccc3)ccc2C1.
What is the InChIKey of 5-benzyl-2-methyl-1H-indene?
The InChIKey is XGUSBXOBDJEAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-13-9-16-8-7-15(12-17(16)10-13)11-14-5-3-2-4-6-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 5-benzyl-2-methyl-1H-indene?
5-benzyl-2-methyl-1H-indene has a molecular weight of 220.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1H-indene is sourced from PubChem (CID 139825397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).