6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

C11H14O2 — CID 22951095

IUPAC6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKPRFGIWZMADDIL-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.58
Rot. Bonds1

About 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 22951095) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID22951095
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyKPRFGIWZMADDIL-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine 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

azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
2,2,3,3-tetradeuterio-6-propan-2-yl-1,4-benzodioxine
CID 88993276
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
6-(3-chlorobutan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 66470243
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
7-(4-propan-2-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 58689144
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
CID 82077632

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 22951095) is 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is CC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is KPRFGIWZMADDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 178.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 22951095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).