8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene

C16H14O2 — CID 174046531

IUPAC8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
SMILESC1=CCOc2ccccc2-c2ccccc2OC1
InChIInChI=1S/C16H14O2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-12-6-5-11-17-15/h1-10H,11-12H2
InChIKeyJVPALORZJXTBDD-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.68
Rot. Bonds

About 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene

8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene (PubChem CID 174046531) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene.

Molecular Properties

Compound Name8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
PubChem CID174046531
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene
SMILESC1=CCOc2ccccc2-c2ccccc2OC1
InChIInChI=1S/C16H14O2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-12-6-5-11-17-15/h1-10H,11-12H2
InChIKeyJVPALORZJXTBDD-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene 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

8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
CID 70373650
(4E)-2,7-dioxa-15,19-diazatricyclo[19.4.0.08,13]pentacosa-1(25),4,8,10,12,21,23-heptaene-14,20-dione
CID 177446883
2H-chromene;gold
CID 87399777
2H-chromene;manganese;titanium
CID 174506783
2H-chromene;methane;molybdenum;vanadium
CID 173308227
2H-chromene;copper;zirconium
CID 174745994
2H-chromene;iron;methane
CID 87751507
2H-chromene;ethane
CID 68570874
CID 87399656
CID 87399656
2H-chromene;nickel;phosphane
CID 175556104
(12E)-2,10,15-trioxatricyclo[17.4.0.04,9]tricosa-1(23),4,6,8,12,19,21-heptaene-3,16-dione
CID 24828675
2H-chromene;fluoromethane
CID 88608923

Frequently Asked Questions

What is the IUPAC name of 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene?
The IUPAC name of 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene (CID 174046531) is 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene.
What is the SMILES notation for 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene?
The canonical SMILES for 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene is C1=CCOc2ccccc2-c2ccccc2OC1.
What is the InChIKey of 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene?
The InChIKey is JVPALORZJXTBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)18-12-6-5-11-17-15/h1-10H,11-12H2.
What are the key properties of 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene?
8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene has a molecular weight of 238.29 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,10,14,16-heptaene is sourced from PubChem (CID 174046531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).