4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione

C15H16O3 — CID 11746865

IUPAC4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione
SMILESCC1=CC(=O)CC2(C)C(=O)C(C)=C3CCOC3=C12
InChIInChI=1S/C15H16O3/c1-8-6-10(16)7-15(3)12(8)13-11(4-5-18-13)9(2)14(15)17/h6H,4-5,7H2,1-3H3
InChIKeyVSVYOQOLLAYRSO-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.49
Rot. Bonds

About 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione

4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione (PubChem CID 11746865) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione.

Molecular Properties

Compound Name4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione
PubChem CID11746865
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione
SMILESCC1=CC(=O)CC2(C)C(=O)C(C)=C3CCOC3=C12
InChIInChI=1S/C15H16O3/c1-8-6-10(16)7-15(3)12(8)13-11(4-5-18-13)9(2)14(15)17/h6H,4-5,7H2,1-3H3
InChIKeyVSVYOQOLLAYRSO-UHFFFAOYSA-N
XLogP2.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-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

3-tert-butyl-1-methoxy-2,3a,7-trimethyl-4H-inden-5-one
CID 134855042
6,7a,11-Trimethyl-2,3,5,8-tetrahydrobenzo[i][1,4]benzodioxepine-7,9-dione
CID 134972711
1-(7-Ethyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10511946
4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one
CID 10998436
5,5a,9-Trimethyl-3,4,5a,6-tetrahydroindeno[1,2-b]pyran-7(2H)-one
CID 71446239
2,3-diethyl-1-methoxy-3a,7-dimethyl-4H-inden-5-one
CID 85701964
6,6a,10-Trimethyl-2,3,5,7-tetrahydroindeno[1,2-e][1,4]dioxepin-8-one
CID 102146679
(3aR)-1-methoxy-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-4H-inden-5-one
CID 134855051
(3aR)-1-methoxy-3,3a,7-trimethyl-2-propan-2-yl-4H-inden-5-one
CID 134855066
5,6a,10-Trimethyl-2,3,4,7-tetrahydrobenzo[h]chromene-6,8-dione
CID 134972626
(3aR)-3-(1-methoxyprop-1-en-2-yl)-2,3a,7-trimethyl-1-propan-2-yloxy-4H-inden-5-one
CID 134973471
6,6a,10-trimethyl-3,4,5,7-tetrahydro-2H-indeno[1,2-b]oxepin-8-one
CID 134973734

Frequently Asked Questions

What is the IUPAC name of 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione?
The IUPAC name of 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione (CID 11746865) is 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione.
What is the SMILES notation for 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione?
The canonical SMILES for 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione is CC1=CC(=O)CC2(C)C(=O)C(C)=C3CCOC3=C12.
What is the InChIKey of 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione?
The InChIKey is VSVYOQOLLAYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-8-6-10(16)7-15(3)12(8)13-11(4-5-18-13)9(2)14(15)17/h6H,4-5,7H2,1-3H3.
What are the key properties of 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione?
4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione has a molecular weight of 244.29 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5a,9-trimethyl-3,6-dihydro-2H-benzo[g][1]benzofuran-5,7-dione is sourced from PubChem (CID 11746865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).