6-methyl-6,7-dihydro-4H-1,3-benzodioxine

C9H12O2 — CID 143460055

IUPAC6-methyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1C=C2COCOC2=CC1
InChIInChI=1S/C9H12O2/c1-7-2-3-9-8(4-7)5-10-6-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyGISQEMBPBVPOBG-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.84
Rot. Bonds

About 6-methyl-6,7-dihydro-4H-1,3-benzodioxine

6-methyl-6,7-dihydro-4H-1,3-benzodioxine (PubChem CID 143460055) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-4H-1,3-benzodioxine
PubChem CID143460055
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-methyl-6,7-dihydro-4H-1,3-benzodioxine
SMILESCC1C=C2COCOC2=CC1
InChIInChI=1S/C9H12O2/c1-7-2-3-9-8(4-7)5-10-6-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyGISQEMBPBVPOBG-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-6,7-dihydro-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 6-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The IUPAC name of 6-methyl-6,7-dihydro-4H-1,3-benzodioxine (CID 143460055) is 6-methyl-6,7-dihydro-4H-1,3-benzodioxine.
What is the SMILES notation for 6-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The canonical SMILES for 6-methyl-6,7-dihydro-4H-1,3-benzodioxine is CC1C=C2COCOC2=CC1.
What is the InChIKey of 6-methyl-6,7-dihydro-4H-1,3-benzodioxine?
The InChIKey is GISQEMBPBVPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-2-3-9-8(4-7)5-10-6-11-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 6-methyl-6,7-dihydro-4H-1,3-benzodioxine?
6-methyl-6,7-dihydro-4H-1,3-benzodioxine has a molecular weight of 152.19 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-4H-1,3-benzodioxine is sourced from PubChem (CID 143460055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).