7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one

C14H14O2 — CID 22015786

IUPAC7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one
SMILESO=C1C=CC2=CCCOC3=CC=CCC23C1
InChIInChI=1S/C14H14O2/c15-12-7-6-11-4-3-9-16-13-5-1-2-8-14(11,13)10-12/h1-2,4-7H,3,8-10H2
InChIKeyRYNWGYJKLZHESK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.69
Rot. Bonds

About 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one

7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one (PubChem CID 22015786) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one.

Molecular Properties

Compound Name7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one
PubChem CID22015786
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one
SMILESO=C1C=CC2=CCCOC3=CC=CCC23C1
InChIInChI=1S/C14H14O2/c15-12-7-6-11-4-3-9-16-13-5-1-2-8-14(11,13)10-12/h1-2,4-7H,3,8-10H2
InChIKeyRYNWGYJKLZHESK-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one 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 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one?
The IUPAC name of 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one (CID 22015786) is 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one.
What is the SMILES notation for 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one?
The canonical SMILES for 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one is O=C1C=CC2=CCCOC3=CC=CCC23C1.
What is the InChIKey of 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one?
The InChIKey is RYNWGYJKLZHESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-12-7-6-11-4-3-9-16-13-5-1-2-8-14(11,13)10-12/h1-2,4-7H,3,8-10H2.
What are the key properties of 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one?
7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one has a molecular weight of 214.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one is sourced from PubChem (CID 22015786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).