6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione

C24H25NO4 — CID 51350260

IUPAC6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cn(C)c4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C24H25NO4/c1-5-14-21(27)20-18(26)12-19(29-23(20)24(6-2,7-3)22(14)28)16-13-25(4)17-11-9-8-10-15(16)17/h8-13,27H,5-7H2,1-4H3
InChIKeyZJKHMZDOTKJDFO-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.12
Rot. Bonds4

About 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione

6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione (PubChem CID 51350260) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione
PubChem CID51350260
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cn(C)c4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C24H25NO4/c1-5-14-21(27)20-18(26)12-19(29-23(20)24(6-2,7-3)22(14)28)16-13-25(4)17-11-9-8-10-15(16)17/h8-13,27H,5-7H2,1-4H3
InChIKeyZJKHMZDOTKJDFO-UHFFFAOYSA-N
XLogP5.12
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione (CID 51350260) is 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione is CCC1=C(O)c2c(oc(-c3cn(C)c4ccccc34)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione?
The InChIKey is ZJKHMZDOTKJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-5-14-21(27)20-18(26)12-19(29-23(20)24(6-2,7-3)22(14)28)16-13-25(4)17-11-9-8-10-15(16)17/h8-13,27H,5-7H2,1-4H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione has a molecular weight of 391.47 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-triethyl-5-hydroxy-2-(1-methylindol-3-yl)chromene-4,7-dione is sourced from PubChem (CID 51350260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).