6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione

C23H26O5 — CID 46939770

IUPAC6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(COC)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C23H26O5/c1-5-16-20(25)19-17(24)12-18(15-10-8-14(9-11-15)13-27-4)28-22(19)23(6-2,7-3)21(16)26/h8-12,25H,5-7,13H2,1-4H3
InChIKeyFJMIAOSVXRQLHB-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.77
Rot. Bonds6

About 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione

6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione (PubChem CID 46939770) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione.

Molecular Properties

Compound Name6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione
PubChem CID46939770
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione
SMILESCCC1=C(O)c2c(oc(-c3ccc(COC)cc3)cc2=O)C(CC)(CC)C1=O
InChIInChI=1S/C23H26O5/c1-5-16-20(25)19-17(24)12-18(15-10-8-14(9-11-15)13-27-4)28-22(19)23(6-2,7-3)21(16)26/h8-12,25H,5-7,13H2,1-4H3
InChIKeyFJMIAOSVXRQLHB-UHFFFAOYSA-N
XLogP4.77
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione?
The IUPAC name of 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione (CID 46939770) is 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione.
What is the SMILES notation for 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione?
The canonical SMILES for 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione is CCC1=C(O)c2c(oc(-c3ccc(COC)cc3)cc2=O)C(CC)(CC)C1=O.
What is the InChIKey of 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione?
The InChIKey is FJMIAOSVXRQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-5-16-20(25)19-17(24)12-18(15-10-8-14(9-11-15)13-27-4)28-22(19)23(6-2,7-3)21(16)26/h8-12,25H,5-7,13H2,1-4H3.
What are the key properties of 6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione?
6,8,8-triethyl-5-hydroxy-2-[4-(methoxymethyl)phenyl]chromene-4,7-dione has a molecular weight of 382.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 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-(methoxymethyl)phenyl]chromene-4,7-dione is sourced from PubChem (CID 46939770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).