6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione

C24H28O4 — CID 46939568

IUPAC6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(C(C)C)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C24H28O4/c1-6-17-21(26)20-18(25)13-19(16-11-9-15(10-12-16)14(4)5)28-23(20)24(7-2,8-3)22(17)27/h9-14,26H,6-8H2,1-5H3
InChIKeyIFJPZSCWPMLXME-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.75
Rot. Bonds5

About 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione

6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione (PubChem CID 46939568) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione
PubChem CID46939568
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(C(C)C)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C24H28O4/c1-6-17-21(26)20-18(25)13-19(16-11-9-15(10-12-16)14(4)5)28-23(20)24(7-2,8-3)22(17)27/h9-14,26H,6-8H2,1-5H3
InChIKeyIFJPZSCWPMLXME-UHFFFAOYSA-N
XLogP5.75
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.75
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-(4-propan-2-ylphenyl)chromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione (CID 46939568) is 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccc(C(C)C)cc3)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione?
The InChIKey is IFJPZSCWPMLXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O4/c1-6-17-21(26)20-18(25)13-19(16-11-9-15(10-12-16)14(4)5)28-23(20)24(7-2,8-3)22(17)27/h9-14,26H,6-8H2,1-5H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione has a molecular weight of 380.48 g/mol, XLogP of 5.75, 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-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione is sourced from PubChem (CID 46939568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).