8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine

C11H14O3 — CID 70446962

IUPAC8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCOc1cccc2c1OC(C)(C)OC2
InChIInChI=1S/C11H14O3/c1-11(2)13-7-8-5-4-6-9(12-3)10(8)14-11/h4-6H,7H2,1-3H3
InChIKeyZWMMJILVYKRMBB-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.34
Rot. Bonds1

About 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine

8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine (PubChem CID 70446962) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
PubChem CID70446962
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine
SMILESCOc1cccc2c1OC(C)(C)OC2
InChIInChI=1S/C11H14O3/c1-11(2)13-7-8-5-4-6-9(12-3)10(8)14-11/h4-6H,7H2,1-3H3
InChIKeyZWMMJILVYKRMBB-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methoxy-2,2-dimethyl-4H-1,3-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

N-[(2,2-dimethyl-4H-1,3-benzodioxin-8-yl)methylidene]thiohydroxylamine
CID 163542578
7-methoxyspiro[3H-1-benzofuran-2,3'-azetidine];hydrochloride
CID 126844423
(2-methoxyphenyl)-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)methanone
CID 126474598
2-(2-methoxyphenyl)-1-(8-methoxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
CID 126471836
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
(8-methoxy-3-methyl-2,4-dihydrochromen-3-yl)methanamine
CID 84722416
8-methoxy-3,4-dihydro-2H-1,2-benzoxazine
CID 175880919
7-methoxy-2,2-dimethyl-1-benzofuran-3-one
CID 14126647
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-methoxyaniline
CID 63677792
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
8-bromo-2,2-difluoro-4H-1,3-benzodioxine
CID 70011646

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine?
The IUPAC name of 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine (CID 70446962) is 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine.
What is the SMILES notation for 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine?
The canonical SMILES for 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine is COc1cccc2c1OC(C)(C)OC2.
What is the InChIKey of 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine?
The InChIKey is ZWMMJILVYKRMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2)13-7-8-5-4-6-9(12-3)10(8)14-11/h4-6H,7H2,1-3H3.
What are the key properties of 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine?
8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine has a molecular weight of 194.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,2-dimethyl-4H-1,3-benzodioxine is sourced from PubChem (CID 70446962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).