12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one

C15H14O2 — CID 164666527

IUPAC12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one
SMILESO=C1CCC=C2c3ccccc3C=CCC2O1
InChIInChI=1S/C15H14O2/c16-15-10-4-8-13-12-7-2-1-5-11(12)6-3-9-14(13)17-15/h1-3,5-8,14H,4,9-10H2
InChIKeyDOUAZDBRGXNZPQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.19
Rot. Bonds

About 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one

12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one (PubChem CID 164666527) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one.

Molecular Properties

Compound Name12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one
PubChem CID164666527
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one
SMILESO=C1CCC=C2c3ccccc3C=CCC2O1
InChIInChI=1S/C15H14O2/c16-15-10-4-8-13-12-7-2-1-5-11(12)6-3-9-14(13)17-15/h1-3,5-8,14H,4,9-10H2
InChIKeyDOUAZDBRGXNZPQ-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one 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

(6S)-6-methyl-6,7-dihydrobenzo[7]annulen-5-one
CID 130653450
2H-naphthalen-1-one;hydrobromide
CID 21419388
2-(2-bromophenyl)-2,3-dihydropyran-6-one
CID 54756664
5-phenyloxolan-2-one
CID 13884
(3R)-3-amino-2,3,5,5a-tetrahydrobenzo[g][1]benzazepin-4-one
CID 20641425
(2R,6R)-6-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 123607951
2-(cyclobuten-1-yl)-1-benzofuran-3-one
CID 150653122
5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2,8,10,12-pentaen-4-amine
CID 91273762
2H-naphthalen-1-imine
CID 22066265
3-(4-chlorophenyl)-N-[(6R,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]propanamide
CID 118879961
3-methyl-4,4a-dihydro-2H-benzo[f]isoquinoline
CID 59069699
8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
CID 70373650

Frequently Asked Questions

What is the IUPAC name of 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one?
The IUPAC name of 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one (CID 164666527) is 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one.
What is the SMILES notation for 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one?
The canonical SMILES for 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one is O=C1CCC=C2c3ccccc3C=CCC2O1.
What is the InChIKey of 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one?
The InChIKey is DOUAZDBRGXNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c16-15-10-4-8-13-12-7-2-1-5-11(12)6-3-9-14(13)17-15/h1-3,5-8,14H,4,9-10H2.
What are the key properties of 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one?
12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one has a molecular weight of 226.28 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatricyclo[9.5.0.02,7]hexadeca-1(16),2,4,6,8-pentaen-13-one is sourced from PubChem (CID 164666527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).