3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene

C18H18O3 — CID 624777

IUPAC3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene
SMILESCOc1ccc2c(c1)CC=Cc1cc(OC)cc(OC)c1-2
InChIInChI=1S/C18H18O3/c1-19-14-7-8-16-12(9-14)5-4-6-13-10-15(20-2)11-17(21-3)18(13)16/h4,6-11H,5H2,1-3H3
InChIKeyZZMREAGPBLYKIS-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.95
Rot. Bonds3

About 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene

3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene (PubChem CID 624777) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene.

Molecular Properties

Compound Name3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene
PubChem CID624777
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene
SMILESCOc1ccc2c(c1)CC=Cc1cc(OC)cc(OC)c1-2
InChIInChI=1S/C18H18O3/c1-19-14-7-8-16-12(9-14)5-4-6-13-10-15(20-2)11-17(21-3)18(13)16/h4,6-11H,5H2,1-3H3
InChIKeyZZMREAGPBLYKIS-UHFFFAOYSA-N
XLogP3.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-1H-indene
CID 22155588
5,12,13,14-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
CID 134940853
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
1,7-dimethoxy-5H-2-benzazepine
CID 143080185
5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene
CID 126638907
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
3-(2,4-dimethoxyphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 57081453
2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
ethane;2-(5-methoxy-3H-inden-1-yl)acetic acid
CID 142209991
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
7-methoxy-3H-1-benzoxepin-2-one
CID 11275513

Frequently Asked Questions

What is the IUPAC name of 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene?
The IUPAC name of 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene (CID 624777) is 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene.
What is the SMILES notation for 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene?
The canonical SMILES for 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene is COc1ccc2c(c1)CC=Cc1cc(OC)cc(OC)c1-2.
What is the InChIKey of 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene?
The InChIKey is ZZMREAGPBLYKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-19-14-7-8-16-12(9-14)5-4-6-13-10-15(20-2)11-17(21-3)18(13)16/h4,6-11H,5H2,1-3H3.
What are the key properties of 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene?
3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene has a molecular weight of 282.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,13-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,8,12,14-heptaene is sourced from PubChem (CID 624777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).