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

C11H12O2 — CID 20686951

IUPAC6-propan-2-yl-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OC=CO2
InChIInChI=1S/C11H12O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-8H,1-2H3
InChIKeyZRVWMVLSPCBEMJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP3.05
Rot. Bonds1

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

6-propan-2-yl-1,4-benzodioxine (PubChem CID 20686951) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-propan-2-yl-1,4-benzodioxine.

Molecular Properties

Compound Name6-propan-2-yl-1,4-benzodioxine
PubChem CID20686951
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name6-propan-2-yl-1,4-benzodioxine
SMILESCC(C)c1ccc2c(c1)OC=CO2
InChIInChI=1S/C11H12O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-8H,1-2H3
InChIKeyZRVWMVLSPCBEMJ-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
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
ethane;2-fluoro-2-methyl-5-propan-2-yl-1,3-benzodioxole
CID 145165904
10-methyl-2,7-di(propan-2-yl)phenoxazine
CID 59610257
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 134391362
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
6-propan-2-yl-2H-1,2-benzoxazine
CID 178028695
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585
3-methyl-6-propan-2-yl-2H-1,3-benzoxazole
CID 59286012

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,4-benzodioxine?
The IUPAC name of 6-propan-2-yl-1,4-benzodioxine (CID 20686951) is 6-propan-2-yl-1,4-benzodioxine.
What is the SMILES notation for 6-propan-2-yl-1,4-benzodioxine?
The canonical SMILES for 6-propan-2-yl-1,4-benzodioxine is CC(C)c1ccc2c(c1)OC=CO2.
What is the InChIKey of 6-propan-2-yl-1,4-benzodioxine?
The InChIKey is ZRVWMVLSPCBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-8(2)9-3-4-10-11(7-9)13-6-5-12-10/h3-8H,1-2H3.
What are the key properties of 6-propan-2-yl-1,4-benzodioxine?
6-propan-2-yl-1,4-benzodioxine has a molecular weight of 176.22 g/mol, XLogP of 3.05, 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-1,4-benzodioxine is sourced from PubChem (CID 20686951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).