2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione

C17H16O3 — CID 11471164

IUPAC2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione
SMILESCC(C)=CC1(C)CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H16O3/c1-10(2)8-17(3)9-13-14(18)11-6-4-5-7-12(11)15(19)16(13)20-17/h4-8H,9H2,1-3H3
InChIKeyGHUGFQGYORVKHU-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.46
Rot. Bonds1

About 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione

2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione (PubChem CID 11471164) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione
PubChem CID11471164
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione
SMILESCC(C)=CC1(C)CC2=C(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H16O3/c1-10(2)8-17(3)9-13-14(18)11-6-4-5-7-12(11)15(19)16(13)20-17/h4-8H,9H2,1-3H3
InChIKeyGHUGFQGYORVKHU-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-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

2-[(1Z)-2,4-dimethylpenta-1,3-dienyl]-2,3-dimethyl-3,4-dihydrobenzo[h]chromene-5,6-dione
CID 87066774
(4,9-dioxo-2,3-dihydrobenzo[f][1]benzofuran-2-yl) acetate
CID 10658838
4a-hydroxy-1,2,3,4,12,12a-hexahydrobenzo[b]xanthene-6,11-dione
CID 134974296
2,2-dimethyl-4-methylidene-3H-benzo[g][1]benzofuran-5-one
CID 89284189
2-hydroxy-2-methyl-1H-anthracene-9,10-dione
CID 175034303
(23S)-20-hydroxy-23-methyl-23-[(1E)-4-methylpenta-1,3-dienyl]-12,22-dioxahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-2(11),4,6,8,13(25),14,16,18,20-nonaene-3,10-dione
CID 134842983
(1'R,2S,2'S,11'R,12'S)-spiro[3H-benzo[f][1]benzofuran-2,10'-9-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-3,5,7,13-tetraene]-4,9-dione
CID 24755279
(1R,13R)-13-tert-butyl-14,16-dioxatetracyclo[11.2.1.02,11.04,9]hexadeca-2(11),4,6,8-tetraene-3,10-dione
CID 10637803
(3S,4R)-3-hydroxy-2,2-dimethyl-4-phenoxy-3,4-dihydrobenzo[g]chromene-5,10-dione
CID 134970871
14,14-dimethyl-12,15-dioxatetracyclo[8.5.0.03,8.011,13]pentadeca-1(10),3,5,7-tetraene-2,9-dione
CID 11086357
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018
2,5-dihydrobenzo[h][1]benzoxepine-6,11-dione
CID 102335356

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione (CID 11471164) is 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione is CC(C)=CC1(C)CC2=C(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione?
The InChIKey is GHUGFQGYORVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-10(2)8-17(3)9-13-14(18)11-6-4-5-7-12(11)15(19)16(13)20-17/h4-8H,9H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione?
2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione has a molecular weight of 268.31 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-1-enyl)-3H-benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 11471164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).