7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene

C17H14 — CID 90884899

IUPAC7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene
SMILESc1ccc(C2=C3CCC3c3ccccc32)cc1
InChIInChI=1S/C17H14/c1-2-6-12(7-3-1)17-15-9-5-4-8-13(15)14-10-11-16(14)17/h1-9,14H,10-11H2
InChIKeyZETSXEIGETXZQQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP4.38
Rot. Bonds1

About 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene

7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene (PubChem CID 90884899) has the molecular formula C17H14 and a molecular weight of 218.30 g/mol. Its IUPAC name is 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene.

Molecular Properties

Compound Name7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene
PubChem CID90884899
Molecular FormulaC17H14
Molecular Weight218.30 g/mol
Exact Mass218.11
IUPAC Name7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene
SMILESc1ccc(C2=C3CCC3c3ccccc32)cc1
InChIInChI=1S/C17H14/c1-2-6-12(7-3-1)17-15-9-5-4-8-13(15)14-10-11-16(14)17/h1-9,14H,10-11H2
InChIKeyZETSXEIGETXZQQ-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene?
The IUPAC name of 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene (CID 90884899) is 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene.
What is the SMILES notation for 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene?
The canonical SMILES for 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene is c1ccc(C2=C3CCC3c3ccccc32)cc1.
What is the InChIKey of 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene?
The InChIKey is ZETSXEIGETXZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14/c1-2-6-12(7-3-1)17-15-9-5-4-8-13(15)14-10-11-16(14)17/h1-9,14H,10-11H2.
What are the key properties of 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene?
7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene has a molecular weight of 218.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,2a-dihydro-1H-cyclobuta[a]indene is sourced from PubChem (CID 90884899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).