8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene

C15H12O — CID 70373650

IUPAC8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
SMILESC1=Cc2ccccc2-c2ccccc2OC1
InChIInChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-10H,11H2
InChIKeyIVJBDVPVMAODNR-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.76
Rot. Bonds

About 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene

8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene (PubChem CID 70373650) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
PubChem CID70373650
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
SMILESC1=Cc2ccccc2-c2ccccc2OC1
InChIInChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-10H,11H2
InChIKeyIVJBDVPVMAODNR-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene 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 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The IUPAC name of 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene (CID 70373650) is 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The canonical SMILES for 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene is C1=Cc2ccccc2-c2ccccc2OC1.
What is the InChIKey of 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The InChIKey is IVJBDVPVMAODNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-8-13-12(6-1)7-5-11-16-15-10-4-3-9-14(13)15/h1-10H,11H2.
What are the key properties of 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene has a molecular weight of 208.26 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 70373650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).