6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione

C23H26O4 — CID 24878730

IUPAC6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(CC)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C23H26O4/c1-5-14-9-11-15(12-10-14)18-13-17(24)19-20(25)16(6-2)21(26)23(7-3,8-4)22(19)27-18/h9-13,25H,5-8H2,1-4H3
InChIKeyRUWYEHQXZCJQKX-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.19
Rot. Bonds5

About 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione

6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione (PubChem CID 24878730) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione
PubChem CID24878730
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(CC)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C23H26O4/c1-5-14-9-11-15(12-10-14)18-13-17(24)19-20(25)16(6-2)21(26)23(7-3,8-4)22(19)27-18/h9-13,25H,5-8H2,1-4H3
InChIKeyRUWYEHQXZCJQKX-UHFFFAOYSA-N
XLogP5.19
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione (CID 24878730) is 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccc(CC)cc3)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione?
The InChIKey is RUWYEHQXZCJQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-5-14-9-11-15(12-10-14)18-13-17(24)19-20(25)16(6-2)21(26)23(7-3,8-4)22(19)27-18/h9-13,25H,5-8H2,1-4H3.
What are the key properties of 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione?
6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione has a molecular weight of 366.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-triethyl-2-(4-ethylphenyl)-5-hydroxychromene-4,7-dione is sourced from PubChem (CID 24878730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).