7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine

C13H16O3 — CID 116876077

IUPAC7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc2c(cc1C1(C)COC1)OCCO2
InChIInChI=1S/C13H16O3/c1-9-5-11-12(16-4-3-15-11)6-10(9)13(2)7-14-8-13/h5-6H,3-4,7-8H2,1-2H3
InChIKeyJVBKNUIDDMUGTO-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.05
Rot. Bonds1

About 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine

7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 116876077) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
PubChem CID116876077
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine
SMILESCc1cc2c(cc1C1(C)COC1)OCCO2
InChIInChI=1S/C13H16O3/c1-9-5-11-12(16-4-3-15-11)6-10(9)13(2)7-14-8-13/h5-6H,3-4,7-8H2,1-2H3
InChIKeyJVBKNUIDDMUGTO-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetane-3-thiol
CID 116872891
[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]methanamine
CID 116829634
2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol
CID 116874416
3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
1,15,18,32-tetramethyl-5,8,11,22,25,28,36,39,42,49,52,55-dodecaoxaundecacyclo[30.26.2.02,31.04,29.012,21.014,19.015,46.018,45.033,58.035,56.043,48]hexaconta-2,4(29),12(21),13,19,30,33,35(56),43(48),44,46,57-dodecaene
CID 101440695
6-(1-isocyanatocyclopropyl)-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 105489160
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117442442
3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]azetidine
CID 116870769
1-(3,3,8-trimethyl-2,4-dihydro-1,5-benzodioxepin-7-yl)cyclopentan-1-amine
CID 117440829
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
2-methyl-3-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870299

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine (CID 116876077) is 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine is Cc1cc2c(cc1C1(C)COC1)OCCO2.
What is the InChIKey of 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is JVBKNUIDDMUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9-5-11-12(16-4-3-15-11)6-10(9)13(2)7-14-8-13/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine?
7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 220.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(3-methyloxetan-3-yl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 116876077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).