2,6-dimethyl-4-phenyl-3aH-indene

C17H16 — CID 23399065

IUPAC2,6-dimethyl-4-phenyl-3aH-indene
SMILESCC1=CC2=CC(C)=CC2C(c2ccccc2)=C1
InChIInChI=1S/C17H16/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14/h3-11,17H,1-2H3
InChIKeyITCNPUDLDBQUOC-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.53
Rot. Bonds1

About 2,6-dimethyl-4-phenyl-3aH-indene

2,6-dimethyl-4-phenyl-3aH-indene (PubChem CID 23399065) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-3aH-indene.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-3aH-indene
PubChem CID23399065
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name2,6-dimethyl-4-phenyl-3aH-indene
SMILESCC1=CC2=CC(C)=CC2C(c2ccccc2)=C1
InChIInChI=1S/C17H16/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14/h3-11,17H,1-2H3
InChIKeyITCNPUDLDBQUOC-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
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2-methyl-5-phenylbicyclo[2.2.2]octa-2,5-diene
CID 72500899
4-methyl-3-phenylcyclobut-2-en-1-ol
CID 123879826
2,7-dimethyl-10b,10c-dihydropyrene
CID 58880753
(6R)-2,5-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145063916
7-methyl-2,4-diphenylbicyclo[4.1.0]hepta-2,4-diene
CID 145073335
2-bromo-5-methyl-1-phenyl-6aH-cyclopenta[b]pyrrole
CID 87162299
benzene;1,2-xylene
CID 161464493
benzene;1,1'-biphenyl;ethane
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4,5-dimethyl-3-phenylcyclopent-2-en-1-one
CID 139667447

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-3aH-indene?
The IUPAC name of 2,6-dimethyl-4-phenyl-3aH-indene (CID 23399065) is 2,6-dimethyl-4-phenyl-3aH-indene.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-3aH-indene?
The canonical SMILES for 2,6-dimethyl-4-phenyl-3aH-indene is CC1=CC2=CC(C)=CC2C(c2ccccc2)=C1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-3aH-indene?
The InChIKey is ITCNPUDLDBQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14/h3-11,17H,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-3aH-indene?
2,6-dimethyl-4-phenyl-3aH-indene has a molecular weight of 220.31 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-3aH-indene is sourced from PubChem (CID 23399065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).