5,6a-dihydroindeno[1,2-c]isochromene

C16H12O — CID 91350887

IUPAC5,6a-dihydroindeno[1,2-c]isochromene
SMILESC1=C2c3ccccc3COC2c2ccccc21
InChIInChI=1S/C16H12O/c1-4-8-14-11(5-1)9-15-13-7-3-2-6-12(13)10-17-16(14)15/h1-9,16H,10H2
InChIKeyTUXFZCZNHHFOOZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.81
Rot. Bonds

About 5,6a-dihydroindeno[1,2-c]isochromene

5,6a-dihydroindeno[1,2-c]isochromene (PubChem CID 91350887) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 5,6a-dihydroindeno[1,2-c]isochromene.

Molecular Properties

Compound Name5,6a-dihydroindeno[1,2-c]isochromene
PubChem CID91350887
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name5,6a-dihydroindeno[1,2-c]isochromene
SMILESC1=C2c3ccccc3COC2c2ccccc21
InChIInChI=1S/C16H12O/c1-4-8-14-11(5-1)9-15-13-7-3-2-6-12(13)10-17-16(14)15/h1-9,16H,10H2
InChIKeyTUXFZCZNHHFOOZ-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
4-methylidene-3-phenyl-1H-isochromene
CID 44606905
1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 14230259
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
4-(1,3-dihydro-2-benzofuran-1-yl)aniline
CID 70600489
6,6a-dihydro-5H-benzo[a]xanthene
CID 132502536
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol
CID 174333366
1-naphthalen-2-yl-1,3-dihydro-2-benzofuran
CID 42600516
(5S,8R)-4,4,8-trimethyl-9-oxatricyclo[9.4.0.02,5]pentadeca-1(15),2,11,13-tetraene
CID 132557633
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3-(1H-isochromen-3-yl)-1H-isochromene
CID 173011945

Frequently Asked Questions

What is the IUPAC name of 5,6a-dihydroindeno[1,2-c]isochromene?
The IUPAC name of 5,6a-dihydroindeno[1,2-c]isochromene (CID 91350887) is 5,6a-dihydroindeno[1,2-c]isochromene.
What is the SMILES notation for 5,6a-dihydroindeno[1,2-c]isochromene?
The canonical SMILES for 5,6a-dihydroindeno[1,2-c]isochromene is C1=C2c3ccccc3COC2c2ccccc21.
What is the InChIKey of 5,6a-dihydroindeno[1,2-c]isochromene?
The InChIKey is TUXFZCZNHHFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-4-8-14-11(5-1)9-15-13-7-3-2-6-12(13)10-17-16(14)15/h1-9,16H,10H2.
What are the key properties of 5,6a-dihydroindeno[1,2-c]isochromene?
5,6a-dihydroindeno[1,2-c]isochromene has a molecular weight of 220.27 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6a-dihydroindeno[1,2-c]isochromene is sourced from PubChem (CID 91350887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).