3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

C18H16O2 — CID 5245588

IUPAC3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCOc1cccc2c1=c1c(OC)cccc1=CC=CC=2
InChIInChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3
InChIKeyNUTLXEPVSUDTLD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.12
Rot. Bonds2

About 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene

3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 5245588) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID5245588
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
SMILESCOc1cccc2c1=c1c(OC)cccc1=CC=CC=2
InChIInChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3
InChIKeyNUTLXEPVSUDTLD-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene (CID 5245588) is 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is COc1cccc2c1=c1c(OC)cccc1=CC=CC=2.
What is the InChIKey of 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is NUTLXEPVSUDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-19-15-11-5-9-13-7-3-4-8-14-10-6-12-16(20-2)18(14)17(13)15/h3-12H,1-2H3.
What are the key properties of 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene?
3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 264.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 5245588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).