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

C12H16O2 — CID 134391362

IUPAC2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC1COc2cc(C(C)C)ccc2O1
InChIInChI=1S/C12H16O2/c1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11/h4-6,8-9H,7H2,1-3H3
InChIKeySPXZKLNTTNREKX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.97
Rot. Bonds1

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

2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 134391362) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID134391362
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESCC1COc2cc(C(C)C)ccc2O1
InChIInChI=1S/C12H16O2/c1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11/h4-6,8-9H,7H2,1-3H3
InChIKeySPXZKLNTTNREKX-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
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;6-fluoro-3-methyl-2,3-dihydro-1,4-benzodioxine
CID 144624453
3-(2-phenylpropyl)-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 170149059
N-ethyl-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43512441
(1R,2R)-2-amino-1-[(3S)-3-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]-3-piperidin-1-ylpropan-1-ol
CID 134288494
6-propan-2-yl-1,4-benzodioxine
CID 20686951
2-(2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 82142991
2-methyl-6-propan-2-yl-2,3-dihydro-1,3-benzoxazole
CID 58125585
2,2-difluoro-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 113435258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine (CID 134391362) is 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is CC1COc2cc(C(C)C)ccc2O1.
What is the InChIKey of 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is SPXZKLNTTNREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)10-4-5-11-12(6-10)13-7-9(3)14-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine?
2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 192.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 134391362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).