(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate

C12H14O4 — CID 134174574

IUPAC(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
SMILESCC(=O)OCC1COc2ccc(C)cc2O1
InChIInChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)16-10(7-15-11)6-14-9(2)13/h3-5,10H,6-7H2,1-2H3
InChIKeySXLSUORACXJQOY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.70
Rot. Bonds2

About (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate

(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate (PubChem CID 134174574) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
PubChem CID134174574
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
SMILESCC(=O)OCC1COc2ccc(C)cc2O1
InChIInChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)16-10(7-15-11)6-14-9(2)13/h3-5,10H,6-7H2,1-2H3
InChIKeySXLSUORACXJQOY-UHFFFAOYSA-N
XLogP1.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate 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

2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
(6,7-dibromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 144516200
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzoate
CID 2318276
[6-(3-methyl-4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 10349999
(5,8-diamino-6-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl acetate
CID 89400218
[(3R)-6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-3-yl]methyl acetate
CID 139580145
(6-fluoro-7-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 139580148
ethyl 2-bromo-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)but-2-enoate
CID 141377098
3-[4-[[(3S)-6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
CID 175212993
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 175213010
(6-bromo-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate
CID 23284889
(7,12-dioxo-2,3-dihydronaphtho[2,3-h][1,4]benzodioxin-2-yl)methyl acetate
CID 71556786

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate (CID 134174574) is (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate is CC(=O)OCC1COc2ccc(C)cc2O1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
The InChIKey is SXLSUORACXJQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)16-10(7-15-11)6-14-9(2)13/h3-5,10H,6-7H2,1-2H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate?
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate has a molecular weight of 222.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate is sourced from PubChem (CID 134174574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).