2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol

C8H8O3 — CID 141319652

IUPAC2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
SMILESCc1cc2ooc2c(C)c1O
InChIInChI=1S/C8H8O3/c1-4-3-6-8(11-10-6)5(2)7(4)9/h3,9H,1-2H3
InChIKeyQXEWYZDFFDSWAM-UHFFFAOYSA-N
MW152.15 g/mol
LogP2.35
Rot. Bonds

About 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol

2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol (PubChem CID 141319652) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol.

Molecular Properties

Compound Name2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
PubChem CID141319652
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol
SMILESCc1cc2ooc2c(C)c1O
InChIInChI=1S/C8H8O3/c1-4-3-6-8(11-10-6)5(2)7(4)9/h3,9H,1-2H3
InChIKeyQXEWYZDFFDSWAM-UHFFFAOYSA-N
XLogP2.35
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-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 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The IUPAC name of 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol (CID 141319652) is 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol.
What is the SMILES notation for 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The canonical SMILES for 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol is Cc1cc2ooc2c(C)c1O.
What is the InChIKey of 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
The InChIKey is QXEWYZDFFDSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-4-3-6-8(11-10-6)5(2)7(4)9/h3,9H,1-2H3.
What are the key properties of 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol?
2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol has a molecular weight of 152.15 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ol is sourced from PubChem (CID 141319652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).