4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one

C16H14O2 — CID 54502622

IUPAC4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one
SMILESCOC1=CCC23C=CC=CC2=CC=CC(=O)C3=C1
InChIInChI=1S/C16H14O2/c1-18-13-8-10-16-9-3-2-5-12(16)6-4-7-15(17)14(16)11-13/h2-9,11H,10H2,1H3
InChIKeyYDMVQKWYHNJCFB-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds1

About 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one

4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one (PubChem CID 54502622) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one.

Molecular Properties

Compound Name4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one
PubChem CID54502622
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one
SMILESCOC1=CCC23C=CC=CC2=CC=CC(=O)C3=C1
InChIInChI=1S/C16H14O2/c1-18-13-8-10-16-9-3-2-5-12(16)6-4-7-15(17)14(16)11-13/h2-9,11H,10H2,1H3
InChIKeyYDMVQKWYHNJCFB-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-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 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one?
The IUPAC name of 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one (CID 54502622) is 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one.
What is the SMILES notation for 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one?
The canonical SMILES for 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one is COC1=CCC23C=CC=CC2=CC=CC(=O)C3=C1.
What is the InChIKey of 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one?
The InChIKey is YDMVQKWYHNJCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-13-8-10-16-9-3-2-5-12(16)6-4-7-15(17)14(16)11-13/h2-9,11H,10H2,1H3.
What are the key properties of 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one?
4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one has a molecular weight of 238.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxytricyclo[9.4.0.01,6]pentadeca-3,5,8,10,12,14-hexaen-7-one is sourced from PubChem (CID 54502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).