6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione

C25H24O4 — CID 24878731

IUPAC6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C25H24O4/c1-4-16-22(27)21-19(26)14-20(29-24(21)25(5-2,6-3)23(16)28)18-13-9-11-15-10-7-8-12-17(15)18/h7-14,27H,4-6H2,1-3H3
InChIKeyLXLFTBVDVKWHQM-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.78
Rot. Bonds4

About 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione

6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione (PubChem CID 24878731) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione
PubChem CID24878731
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C25H24O4/c1-4-16-22(27)21-19(26)14-20(29-24(21)25(5-2,6-3)23(16)28)18-13-9-11-15-10-7-8-12-17(15)18/h7-14,27H,4-6H2,1-3H3
InChIKeyLXLFTBVDVKWHQM-UHFFFAOYSA-N
XLogP5.78
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dasytrichone
CID 442586
6,8,8-Triethyl-4-ethyl desmosdumotin B
CID 24878730
2-(Naphthalen-1-yl)desmosdumotin B
CID 24878784
6,8,8-Triethyl-4-methyl desmosdumotin B
CID 24878786
2-(3,5-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46937438
2-(3,4-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46938414
2-(2,3-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46938632
6,8,8-Triethyl-5-hydroxy-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione
CID 51039196
5-Hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione
CID 51350520
6,8,8-Triethyl-5-hydroxy-2-(2-hydroxynaphthalen-1-yl)chromene-4,7-dione
CID 132580728
6,8,8-Triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione
CID 162670119
6,8,8-Triethyl desmosdumotin B
CID 24878785

Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione (CID 24878731) is 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione is CCC1=C(O)c2c(oc(-c3cccc4ccccc34)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione?
The InChIKey is LXLFTBVDVKWHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-4-16-22(27)21-19(26)14-20(29-24(21)25(5-2,6-3)23(16)28)18-13-9-11-15-10-7-8-12-17(15)18/h7-14,27H,4-6H2,1-3H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione has a molecular weight of 388.46 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-triethyl-5-hydroxy-2-naphthalen-1-ylchromene-4,7-dione is sourced from PubChem (CID 24878731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).