11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene

C20H19FO — CID 146162187

IUPAC11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene
SMILESCC(C)(C)C1=C2c3cc(F)ccc3CC2Oc2ccccc21
InChIInChI=1S/C20H19FO/c1-20(2,3)19-14-6-4-5-7-16(14)22-17-10-12-8-9-13(21)11-15(12)18(17)19/h4-9,11,17H,10H2,1-3H3
InChIKeyJSHRJVNFGIDZIW-UHFFFAOYSA-N
MW294.37 g/mol
LogP5.10
Rot. Bonds

About 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene

11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene (PubChem CID 146162187) has the molecular formula C20H19FO and a molecular weight of 294.37 g/mol. Its IUPAC name is 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene.

Molecular Properties

Compound Name11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene
PubChem CID146162187
Molecular FormulaC20H19FO
Molecular Weight294.37 g/mol
Exact Mass294.14
IUPAC Name11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene
SMILESCC(C)(C)C1=C2c3cc(F)ccc3CC2Oc2ccccc21
InChIInChI=1S/C20H19FO/c1-20(2,3)19-14-6-4-5-7-16(14)22-17-10-12-8-9-13(21)11-15(12)18(17)19/h4-9,11,17H,10H2,1-3H3
InChIKeyJSHRJVNFGIDZIW-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.37
LogP ≤ 55.10
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

4-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-2,3-dihydro-1H-inden-1-ol
CID 127031151
3-(4-phenylbutyl)-2H-chromene
CID 137642306
3-(5-phenylpentyl)-2H-chromene
CID 137643038
1-(Cyclopentyl-phenyl-methoxy)-3-fluoro-benzene
CID 11242693
(3Z)-6-fluoro-3-[(E)-3-phenylprop-2-enylidene]-4H-chromene
CID 57395824
3-(3-phenylpropyl)-2H-chromene
CID 137635689
3-(2-phenylpropyl)-2H-chromene
CID 137654065
2-(2-fluorophenyl)-2H-chromene
CID 118481848
6H-Benzo[c]chromene
CID 136047
2-Butoxybiphenyl
CID 347562
1-Methyl-2-((2-methylphenoxy)methyl)benzene
CID 52146955
4-ethoxy-2-(4-fluorophenyl)-2H-chromene
CID 3497999

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene?
The IUPAC name of 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene (CID 146162187) is 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene.
What is the SMILES notation for 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene?
The canonical SMILES for 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene is CC(C)(C)C1=C2c3cc(F)ccc3CC2Oc2ccccc21.
What is the InChIKey of 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene?
The InChIKey is JSHRJVNFGIDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FO/c1-20(2,3)19-14-6-4-5-7-16(14)22-17-10-12-8-9-13(21)11-15(12)18(17)19/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene?
11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene has a molecular weight of 294.37 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-tert-butyl-9-fluoro-5a,6-dihydroindeno[2,1-b]chromene is sourced from PubChem (CID 146162187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).