6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione

C22H24O4 — CID 46939771

IUPAC6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cccc(C)c3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C22H24O4/c1-5-15-19(24)18-16(23)12-17(14-10-8-9-13(4)11-14)26-21(18)22(6-2,7-3)20(15)25/h8-12,24H,5-7H2,1-4H3
InChIKeyNOKPHDVPXGPGOI-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.93
Rot. Bonds4

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

6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione (PubChem CID 46939771) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione
PubChem CID46939771
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3cccc(C)c3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C22H24O4/c1-5-15-19(24)18-16(23)12-17(14-10-8-9-13(4)11-14)26-21(18)22(6-2,7-3)20(15)25/h8-12,24H,5-7H2,1-4H3
InChIKeyNOKPHDVPXGPGOI-UHFFFAOYSA-N
XLogP4.93
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.93
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-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione (CID 46939771) is 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione is CCC1=C(O)c2c(oc(-c3cccc(C)c3)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione?
The InChIKey is NOKPHDVPXGPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-5-15-19(24)18-16(23)12-17(14-10-8-9-13(4)11-14)26-21(18)22(6-2,7-3)20(15)25/h8-12,24H,5-7H2,1-4H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione has a molecular weight of 352.43 g/mol, XLogP of 4.93, 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-(3-methylphenyl)chromene-4,7-dione is sourced from PubChem (CID 46939771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).