12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one

C16H14O2 — CID 141002477

IUPAC12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
SMILESCOc1cccc2c1CC(=O)c1ccccc1C2
InChIInChI=1S/C16H14O2/c1-18-16-8-4-6-12-9-11-5-2-3-7-13(11)15(17)10-14(12)16/h2-8H,9-10H2,1H3
InChIKeyUVEBFUJFKPMNKR-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds1

About 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one

12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one (PubChem CID 141002477) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one.

Molecular Properties

Compound Name12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
PubChem CID141002477
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one
SMILESCOc1cccc2c1CC(=O)c1ccccc1C2
InChIInChI=1S/C16H14O2/c1-18-16-8-4-6-12-9-11-5-2-3-7-13(11)15(17)10-14(12)16/h2-8H,9-10H2,1H3
InChIKeyUVEBFUJFKPMNKR-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 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-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 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one?
The IUPAC name of 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one (CID 141002477) is 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one.
What is the SMILES notation for 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one?
The canonical SMILES for 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one is COc1cccc2c1CC(=O)c1ccccc1C2.
What is the InChIKey of 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one?
The InChIKey is UVEBFUJFKPMNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-16-8-4-6-12-9-11-5-2-3-7-13(11)15(17)10-14(12)16/h2-8H,9-10H2,1H3.
What are the key properties of 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one?
12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-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 12-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-one is sourced from PubChem (CID 141002477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).