12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione

C17H12O3 — CID 101138705

IUPAC12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C1C=CC=CC(C1)O2
InChIInChI=1S/C17H12O3/c18-15-12-7-3-4-8-13(12)16(19)17-14(15)10-5-1-2-6-11(9-10)20-17/h1-8,10-11H,9H2
InChIKeyHVNSFWNFRWTKNV-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.85
Rot. Bonds

About 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione

12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione (PubChem CID 101138705) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione.

Molecular Properties

Compound Name12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione
PubChem CID101138705
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione
SMILESO=C1C2=C(C(=O)c3ccccc31)C1C=CC=CC(C1)O2
InChIInChI=1S/C17H12O3/c18-15-12-7-3-4-8-13(12)16(19)17-14(15)10-5-1-2-6-11(9-10)20-17/h1-8,10-11H,9H2
InChIKeyHVNSFWNFRWTKNV-UHFFFAOYSA-N
XLogP2.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione?
The IUPAC name of 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione (CID 101138705) is 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione.
What is the SMILES notation for 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione?
The canonical SMILES for 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione is O=C1C2=C(C(=O)c3ccccc31)C1C=CC=CC(C1)O2.
What is the InChIKey of 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione?
The InChIKey is HVNSFWNFRWTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-15-12-7-3-4-8-13(12)16(19)17-14(15)10-5-1-2-6-11(9-10)20-17/h1-8,10-11H,9H2.
What are the key properties of 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione?
12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione has a molecular weight of 264.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatetracyclo[11.4.1.02,11.04,9]octadeca-2(11),4,6,8,14,16-hexaene-3,10-dione is sourced from PubChem (CID 101138705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).