6-(2-methylpropyl)-1,4-benzodioxine

C12H14O2 — CID 57144989

IUPAC6-(2-methylpropyl)-1,4-benzodioxine
SMILESCC(C)Cc1ccc2c(c1)OC=CO2
InChIInChI=1S/C12H14O2/c1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11/h3-6,8-9H,7H2,1-2H3
InChIKeyXVMAXXRRPACKJS-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.13
Rot. Bonds2

About 6-(2-methylpropyl)-1,4-benzodioxine

6-(2-methylpropyl)-1,4-benzodioxine (PubChem CID 57144989) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-(2-methylpropyl)-1,4-benzodioxine.

Molecular Properties

Compound Name6-(2-methylpropyl)-1,4-benzodioxine
PubChem CID57144989
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-(2-methylpropyl)-1,4-benzodioxine
SMILESCC(C)Cc1ccc2c(c1)OC=CO2
InChIInChI=1S/C12H14O2/c1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11/h3-6,8-9H,7H2,1-2H3
InChIKeyXVMAXXRRPACKJS-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole
CID 22890491
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
2-methylidene-5-(2-methylpropyl)-3H-1-benzofuran
CID 89073344
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
3,3-dimethyl-7-(2-methylpropyl)-4,5-dihydro-2H-1,5-benzoxazepine
CID 82231564
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
6-(2-methylpropyl)-4H-chromen-3-one
CID 159015525
2-methyl-6-(2-methylpropyl)-4H-chromen-3-one
CID 159015527
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
1,1,4,4-tetramethyl-6-(2-methylpropyl)-2,3-dihydronaphthalene
CID 59409873
2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
6-(2-methylpropyl)-1,2,3,4-benzotetrazine
CID 138666997

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-1,4-benzodioxine?
The IUPAC name of 6-(2-methylpropyl)-1,4-benzodioxine (CID 57144989) is 6-(2-methylpropyl)-1,4-benzodioxine.
What is the SMILES notation for 6-(2-methylpropyl)-1,4-benzodioxine?
The canonical SMILES for 6-(2-methylpropyl)-1,4-benzodioxine is CC(C)Cc1ccc2c(c1)OC=CO2.
What is the InChIKey of 6-(2-methylpropyl)-1,4-benzodioxine?
The InChIKey is XVMAXXRRPACKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)7-10-3-4-11-12(8-10)14-6-5-13-11/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-1,4-benzodioxine?
6-(2-methylpropyl)-1,4-benzodioxine has a molecular weight of 190.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-1,4-benzodioxine is sourced from PubChem (CID 57144989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).