2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene

C23H23F3O2 — CID 12071760

IUPAC2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene
SMILESCC1(C)C=Cc2cc3c(cc2O1)OC(C)(C)CC3c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3O2/c1-21(2)9-8-15-11-17-18(14-6-5-7-16(10-14)23(24,25)26)13-22(3,4)28-20(17)12-19(15)27-21/h5-12,18H,13H2,1-4H3
InChIKeyMLYXEEITKCURAE-UHFFFAOYSA-N
MW388.43 g/mol
LogP6.58
Rot. Bonds1

About 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene

2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene (PubChem CID 12071760) has the molecular formula C23H23F3O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene.

Molecular Properties

Compound Name2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene
PubChem CID12071760
Molecular FormulaC23H23F3O2
Molecular Weight388.43 g/mol
Exact Mass388.17
IUPAC Name2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene
SMILESCC1(C)C=Cc2cc3c(cc2O1)OC(C)(C)CC3c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3O2/c1-21(2)9-8-15-11-17-18(14-6-5-7-16(10-14)23(24,25)26)13-22(3,4)28-20(17)12-19(15)27-21/h5-12,18H,13H2,1-4H3
InChIKeyMLYXEEITKCURAE-UHFFFAOYSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene?
The IUPAC name of 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene (CID 12071760) is 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene.
What is the SMILES notation for 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene?
The canonical SMILES for 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene is CC1(C)C=Cc2cc3c(cc2O1)OC(C)(C)CC3c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene?
The InChIKey is MLYXEEITKCURAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3O2/c1-21(2)9-8-15-11-17-18(14-6-5-7-16(10-14)23(24,25)26)13-22(3,4)28-20(17)12-19(15)27-21/h5-12,18H,13H2,1-4H3.
What are the key properties of 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene?
2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene has a molecular weight of 388.43 g/mol, XLogP of 6.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8,8-tetramethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydropyrano[3,2-g]chromene is sourced from PubChem (CID 12071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).