2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene

C12H14O4 — CID 175080789

IUPAC2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene
SMILESCOC1=Cc2cc1c(OC)c(OC)c2OC
InChIInChI=1S/C12H14O4/c1-13-9-6-7-5-8(9)11(15-3)12(16-4)10(7)14-2/h5-6H,1-4H3
InChIKeyHCSMVALQXBNZHG-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.17
Rot. Bonds4

About 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene

2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene (PubChem CID 175080789) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene.

Molecular Properties

Compound Name2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene
PubChem CID175080789
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene
SMILESCOC1=Cc2cc1c(OC)c(OC)c2OC
InChIInChI=1S/C12H14O4/c1-13-9-6-7-5-8(9)11(15-3)12(16-4)10(7)14-2/h5-6H,1-4H3
InChIKeyHCSMVALQXBNZHG-UHFFFAOYSA-N
XLogP2.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene 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

Asarone
CID 636822
Elemicin
CID 10248
Apiole
CID 10659
precocene II
CID 12565
Beta-Asarone
CID 5281758
Dillapiol
CID 10231
Syringic alcohol
CID 10741
Schisandrin A
CID 155256
Isoelemicin
CID 5318557
3,4,5-Trimethoxytoluene
CID 80922
1,2,4-Trimethoxy-5-(1-propenyl)benzene
CID 17903
3,4,5-Trimethoxybenzyl alcohol
CID 77449

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene?
The IUPAC name of 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene (CID 175080789) is 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene.
What is the SMILES notation for 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene?
The canonical SMILES for 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene is COC1=Cc2cc1c(OC)c(OC)c2OC.
What is the InChIKey of 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene?
The InChIKey is HCSMVALQXBNZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-13-9-6-7-5-8(9)11(15-3)12(16-4)10(7)14-2/h5-6H,1-4H3.
What are the key properties of 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene?
2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene has a molecular weight of 222.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene is sourced from PubChem (CID 175080789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).