cyclopenta[d][1,3]dioxin-7-ol

C7H6O3 — CID 142781641

IUPACcyclopenta[d][1,3]dioxin-7-ol
SMILESOC1=C2OCOC=C2C=C1
InChIInChI=1S/C7H6O3/c8-6-2-1-5-3-9-4-10-7(5)6/h1-3,8H,4H2
InChIKeyHTQOELQCOZOLDD-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.21
Rot. Bonds

About cyclopenta[d][1,3]dioxin-7-ol

cyclopenta[d][1,3]dioxin-7-ol (PubChem CID 142781641) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is cyclopenta[d][1,3]dioxin-7-ol.

Molecular Properties

Compound Namecyclopenta[d][1,3]dioxin-7-ol
PubChem CID142781641
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Namecyclopenta[d][1,3]dioxin-7-ol
SMILESOC1=C2OCOC=C2C=C1
InChIInChI=1S/C7H6O3/c8-6-2-1-5-3-9-4-10-7(5)6/h1-3,8H,4H2
InChIKeyHTQOELQCOZOLDD-UHFFFAOYSA-N
XLogP1.21
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclopenta[d][1,3]dioxin-7-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 cyclopenta[d][1,3]dioxin-7-ol?
The IUPAC name of cyclopenta[d][1,3]dioxin-7-ol (CID 142781641) is cyclopenta[d][1,3]dioxin-7-ol.
What is the SMILES notation for cyclopenta[d][1,3]dioxin-7-ol?
The canonical SMILES for cyclopenta[d][1,3]dioxin-7-ol is OC1=C2OCOC=C2C=C1.
What is the InChIKey of cyclopenta[d][1,3]dioxin-7-ol?
The InChIKey is HTQOELQCOZOLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-6-2-1-5-3-9-4-10-7(5)6/h1-3,8H,4H2.
What are the key properties of cyclopenta[d][1,3]dioxin-7-ol?
cyclopenta[d][1,3]dioxin-7-ol has a molecular weight of 138.12 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[d][1,3]dioxin-7-ol is sourced from PubChem (CID 142781641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).