8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione

C30H24O6 — CID 4301466

IUPAC8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
SMILESCC(C)=CCCC1(C)C=Cc2c(ccc3c2C(=O)C(=O)C(C2=CC(=O)c4ccccc4C2=O)=C3O)O1
InChIInChI=1S/C30H24O6/c1-16(2)7-6-13-30(3)14-12-19-23(36-30)11-10-20-24(19)28(34)29(35)25(27(20)33)21-15-22(31)17-8-4-5-9-18(17)26(21)32/h4-5,7-12,14-15,33H,6,13H2,1-3H3
InChIKeyCHMKFRXALYUUKV-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.64
Rot. Bonds4

About 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione

8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione (PubChem CID 4301466) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione.

Molecular Properties

Compound Name8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
PubChem CID4301466
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione
SMILESCC(C)=CCCC1(C)C=Cc2c(ccc3c2C(=O)C(=O)C(C2=CC(=O)c4ccccc4C2=O)=C3O)O1
InChIInChI=1S/C30H24O6/c1-16(2)7-6-13-30(3)14-12-19-23(36-30)11-10-20-24(19)28(34)29(35)25(27(20)33)21-15-22(31)17-8-4-5-9-18(17)26(21)32/h4-5,7-12,14-15,33H,6,13H2,1-3H3
InChIKeyCHMKFRXALYUUKV-UHFFFAOYSA-N
XLogP5.64
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diacerein
CID 26248
Morusin
CID 5281671
Osajin
CID 95168
Glabrone
CID 5317652
Lonchocarpin
CID 6283743
8-Hydroxy-1-methoxy-3-methyl-9,10-anthracenedione
CID 13412789
Cycloartocarpesin
CID 15224382
Alpinumisoflavone
CID 5490139
8-O-Methyltetrangomycin
CID 10019885
2-(2,4-Dihydroxyphenyl)-5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4H,8H-benzo(1,2-b:3,4-b')dipyran-4-one
CID 5481968
Demethylcalabaxanthone
CID 509270
Artonol B
CID 10740797

Frequently Asked Questions

What is the IUPAC name of 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione?
The IUPAC name of 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione (CID 4301466) is 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione.
What is the SMILES notation for 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione?
The canonical SMILES for 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione is CC(C)=CCCC1(C)C=Cc2c(ccc3c2C(=O)C(=O)C(C2=CC(=O)c4ccccc4C2=O)=C3O)O1.
What is the InChIKey of 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione?
The InChIKey is CHMKFRXALYUUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/c1-16(2)7-6-13-30(3)14-12-19-23(36-30)11-10-20-24(19)28(34)29(35)25(27(20)33)21-15-22(31)17-8-4-5-9-18(17)26(21)32/h4-5,7-12,14-15,33H,6,13H2,1-3H3.
What are the key properties of 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione?
8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione has a molecular weight of 480.52 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,4-dioxonaphthalen-2-yl)-7-hydroxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9,10-dione is sourced from PubChem (CID 4301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).