3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol

C17H18O3 — CID 142005950

IUPAC3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol
SMILESCOc1cc2c(c(OC)c1O)-c1ccccc1CCC2
InChIInChI=1S/C17H18O3/c1-19-14-10-12-8-5-7-11-6-3-4-9-13(11)15(12)17(20-2)16(14)18/h3-4,6,9-10,18H,5,7-8H2,1-2H3
InChIKeyUIXCFFVJUDKBNO-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.57
Rot. Bonds2

About 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol

3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol (PubChem CID 142005950) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol.

Molecular Properties

Compound Name3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol
PubChem CID142005950
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol
SMILESCOc1cc2c(c(OC)c1O)-c1ccccc1CCC2
InChIInChI=1S/C17H18O3/c1-19-14-10-12-8-5-7-11-6-3-4-9-13(11)15(12)17(20-2)16(14)18/h3-4,6,9-10,18H,5,7-8H2,1-2H3
InChIKeyUIXCFFVJUDKBNO-UHFFFAOYSA-N
XLogP3.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol 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 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol?
The IUPAC name of 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol (CID 142005950) is 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol.
What is the SMILES notation for 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol?
The canonical SMILES for 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol is COc1cc2c(c(OC)c1O)-c1ccccc1CCC2.
What is the InChIKey of 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol?
The InChIKey is UIXCFFVJUDKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-19-14-10-12-8-5-7-11-6-3-4-9-13(11)15(12)17(20-2)16(14)18/h3-4,6,9-10,18H,5,7-8H2,1-2H3.
What are the key properties of 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol?
3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol has a molecular weight of 270.33 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol is sourced from PubChem (CID 142005950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).