7-cyclopropyl-4H-1,3-benzodioxine

C11H12O2 — CID 175725271

IUPAC7-cyclopropyl-4H-1,3-benzodioxine
SMILESc1cc2c(cc1C1CC1)OCOC2
InChIInChI=1S/C11H12O2/c1-2-8(1)9-3-4-10-6-12-7-13-11(10)5-9/h3-5,8H,1-2,6-7H2
InChIKeyYSLGEFGJRRQVBM-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.43
Rot. Bonds1

About 7-cyclopropyl-4H-1,3-benzodioxine

7-cyclopropyl-4H-1,3-benzodioxine (PubChem CID 175725271) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 7-cyclopropyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name7-cyclopropyl-4H-1,3-benzodioxine
PubChem CID175725271
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name7-cyclopropyl-4H-1,3-benzodioxine
SMILESc1cc2c(cc1C1CC1)OCOC2
InChIInChI=1S/C11H12O2/c1-2-8(1)9-3-4-10-6-12-7-13-11(10)5-9/h3-5,8H,1-2,6-7H2
InChIKeyYSLGEFGJRRQVBM-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-cyclopropyl-4H-1,3-benzodioxine 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 7-cyclopropyl-4H-1,3-benzodioxine?
The IUPAC name of 7-cyclopropyl-4H-1,3-benzodioxine (CID 175725271) is 7-cyclopropyl-4H-1,3-benzodioxine.
What is the SMILES notation for 7-cyclopropyl-4H-1,3-benzodioxine?
The canonical SMILES for 7-cyclopropyl-4H-1,3-benzodioxine is c1cc2c(cc1C1CC1)OCOC2.
What is the InChIKey of 7-cyclopropyl-4H-1,3-benzodioxine?
The InChIKey is YSLGEFGJRRQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-8(1)9-3-4-10-6-12-7-13-11(10)5-9/h3-5,8H,1-2,6-7H2.
What are the key properties of 7-cyclopropyl-4H-1,3-benzodioxine?
7-cyclopropyl-4H-1,3-benzodioxine has a molecular weight of 176.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4H-1,3-benzodioxine is sourced from PubChem (CID 175725271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).