8-methyl-5-propan-2-yl-1,4-benzodioxine

C12H14O2 — CID 145358856

IUPAC8-methyl-5-propan-2-yl-1,4-benzodioxine
SMILESCc1ccc(C(C)C)c2c1OC=CO2
InChIInChI=1S/C12H14O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-8H,1-3H3
InChIKeyZAJCWUXYPXEVJM-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.36
Rot. Bonds1

About 8-methyl-5-propan-2-yl-1,4-benzodioxine

8-methyl-5-propan-2-yl-1,4-benzodioxine (PubChem CID 145358856) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 8-methyl-5-propan-2-yl-1,4-benzodioxine.

Molecular Properties

Compound Name8-methyl-5-propan-2-yl-1,4-benzodioxine
PubChem CID145358856
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name8-methyl-5-propan-2-yl-1,4-benzodioxine
SMILESCc1ccc(C(C)C)c2c1OC=CO2
InChIInChI=1S/C12H14O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-8H,1-3H3
InChIKeyZAJCWUXYPXEVJM-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940
7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole
CID 101380524
bromomethane;5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
CID 131720578
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 175725025
2,3-dichloro-1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 161089123
(2,3-dimethyl-6-propan-2-ylphenyl)phosphane
CID 135300466
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
4-amino-6-methyl-9-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 82247391
2-ethyl-3-methyl-6-propan-2-ylphenol
CID 141031385
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 61037728

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-yl-1,4-benzodioxine?
The IUPAC name of 8-methyl-5-propan-2-yl-1,4-benzodioxine (CID 145358856) is 8-methyl-5-propan-2-yl-1,4-benzodioxine.
What is the SMILES notation for 8-methyl-5-propan-2-yl-1,4-benzodioxine?
The canonical SMILES for 8-methyl-5-propan-2-yl-1,4-benzodioxine is Cc1ccc(C(C)C)c2c1OC=CO2.
What is the InChIKey of 8-methyl-5-propan-2-yl-1,4-benzodioxine?
The InChIKey is ZAJCWUXYPXEVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)10-5-4-9(3)11-12(10)14-7-6-13-11/h4-8H,1-3H3.
What are the key properties of 8-methyl-5-propan-2-yl-1,4-benzodioxine?
8-methyl-5-propan-2-yl-1,4-benzodioxine has a molecular weight of 190.24 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-yl-1,4-benzodioxine is sourced from PubChem (CID 145358856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).