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

C25H24O5 — CID 162670119

IUPAC6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(O)c4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C25H24O5/c1-4-14-22(28)21-19(27)13-20(30-24(21)25(5-2,6-3)23(14)29)17-11-12-18(26)16-10-8-7-9-15(16)17/h7-13,26,28H,4-6H2,1-3H3
InChIKeyPYEDHQNBZAVOMK-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.49
Rot. Bonds4

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

6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione (PubChem CID 162670119) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione
PubChem CID162670119
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(O)c4ccccc34)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C25H24O5/c1-4-14-22(28)21-19(27)13-20(30-24(21)25(5-2,6-3)23(14)29)17-11-12-18(26)16-10-8-7-9-15(16)17/h7-13,26,28H,4-6H2,1-3H3
InChIKeyPYEDHQNBZAVOMK-UHFFFAOYSA-N
XLogP5.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione (CID 162670119) is 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccc(O)c4ccccc34)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione?
The InChIKey is PYEDHQNBZAVOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-4-14-22(28)21-19(27)13-20(30-24(21)25(5-2,6-3)23(14)29)17-11-12-18(26)16-10-8-7-9-15(16)17/h7-13,26,28H,4-6H2,1-3H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione has a molecular weight of 404.46 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-triethyl-5-hydroxy-2-(4-hydroxynaphthalen-1-yl)chromene-4,7-dione is sourced from PubChem (CID 162670119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).