5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione

C23H20O4 — CID 51350520

IUPAC5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione
SMILESCC1=C(O)c2c(oc(-c3ccc(C)c4ccccc34)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C23H20O4/c1-12-9-10-16(15-8-6-5-7-14(12)15)18-11-17(24)19-20(25)13(2)21(26)23(3,4)22(19)27-18/h5-11,25H,1-4H3
InChIKeyRKTDSQMRCJXTDL-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.92
Rot. Bonds1

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

5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione (PubChem CID 51350520) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione.

Molecular Properties

Compound Name5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione
PubChem CID51350520
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione
SMILESCC1=C(O)c2c(oc(-c3ccc(C)c4ccccc34)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C23H20O4/c1-12-9-10-16(15-8-6-5-7-14(12)15)18-11-17(24)19-20(25)13(2)21(26)23(3,4)22(19)27-18/h5-11,25H,1-4H3
InChIKeyRKTDSQMRCJXTDL-UHFFFAOYSA-N
XLogP4.92
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione?
The IUPAC name of 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione (CID 51350520) is 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione.
What is the SMILES notation for 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione?
The canonical SMILES for 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione is CC1=C(O)c2c(oc(-c3ccc(C)c4ccccc34)cc2=O)C(C)(C)C1=O.
What is the InChIKey of 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione?
The InChIKey is RKTDSQMRCJXTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-12-9-10-16(15-8-6-5-7-14(12)15)18-11-17(24)19-20(25)13(2)21(26)23(3,4)22(19)27-18/h5-11,25H,1-4H3.
What are the key properties of 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione?
5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione has a molecular weight of 360.41 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,8,8-trimethyl-2-(4-methylnaphthalen-1-yl)chromene-4,7-dione is sourced from PubChem (CID 51350520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).