6,8,8-trimethyl-2-phenylchromene-4,5,7-trione

C18H16O4 — CID 91409047

IUPAC6,8,8-trimethyl-2-phenylchromene-4,5,7-trione
SMILESCC1C(=O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-10H,1-3H3
InChIKeyXWPJBEGCILWVEY-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.99
Rot. Bonds1

About 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione

6,8,8-trimethyl-2-phenylchromene-4,5,7-trione (PubChem CID 91409047) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione.

Molecular Properties

Compound Name6,8,8-trimethyl-2-phenylchromene-4,5,7-trione
PubChem CID91409047
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name6,8,8-trimethyl-2-phenylchromene-4,5,7-trione
SMILESCC1C(=O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O
InChIInChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-10H,1-3H3
InChIKeyXWPJBEGCILWVEY-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3,3,6,6-Tetramethyl-9-phenyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
CID 623585
Dasytrichone
CID 442586
2,3-Dihydro-5-hydroxy-6,8,8-trimethyl-2-phenyl-4h-1-benzopyran-4,7(8h)-dione
CID 44399548
6,8,8-Triethyl-4-ethyl desmosdumotin B
CID 24878730
2-(3,5-Dimethylphenyl)-6,8,8-triethyl-5-hydroxychromene-4,7-dione
CID 46937438
Cryptocaryanone A
CID 10356404
7-Hydroxy-6,6-bis(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-phenylchromene-2,5-dione
CID 122187713
6,8,8-Triethyl desmosdumotin B
CID 24878785
6,8,8-Triethyl-2-methyl desmosdumotin B
CID 24878787
6,8,8-Triethyl-5-hydroxy-2-(4-propan-2-ylphenyl)chromene-4,7-dione
CID 46939568
6,8,8-Triethyl-5-hydroxy-2-(3-methylphenyl)chromene-4,7-dione
CID 46939771
(2R)-6,7-dimethoxy-2-phenyl-2,3-dihydrochromene-4,5,8-trione
CID 145958964

Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione?
The IUPAC name of 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione (CID 91409047) is 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione.
What is the SMILES notation for 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione?
The canonical SMILES for 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione is CC1C(=O)c2c(oc(-c3ccccc3)cc2=O)C(C)(C)C1=O.
What is the InChIKey of 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione?
The InChIKey is XWPJBEGCILWVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-10-15(20)14-12(19)9-13(11-7-5-4-6-8-11)22-17(14)18(2,3)16(10)21/h4-10H,1-3H3.
What are the key properties of 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione?
6,8,8-trimethyl-2-phenylchromene-4,5,7-trione has a molecular weight of 296.32 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-2-phenylchromene-4,5,7-trione is sourced from PubChem (CID 91409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).