6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine

C11H12O4 — CID 123641845

IUPAC6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(cc1OCC1CO1)OCCO2
InChIInChI=1S/C11H12O4/c1-2-10-11(13-4-3-12-10)5-8(1)14-6-9-7-15-9/h1-2,5,9H,3-4,6-7H2
InChIKeyUZWJGGXRZHXKMO-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.24
Rot. Bonds3

About 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine

6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine (PubChem CID 123641845) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
PubChem CID123641845
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
SMILESc1cc2c(cc1OCC1CO1)OCCO2
InChIInChI=1S/C11H12O4/c1-2-10-11(13-4-3-12-10)5-8(1)14-6-9-7-15-9/h1-2,5,9H,3-4,6-7H2
InChIKeyUZWJGGXRZHXKMO-UHFFFAOYSA-N
XLogP1.24
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
CID 23850252
(2S)-2-[(4-fluoro-3-methylphenoxy)methyl]oxirane
CID 130493263
(2S)-2-[(3-chloro-4-methylphenoxy)methyl]oxirane
CID 40802006
naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
CID 21248194
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-methyl-4-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 18475217

Frequently Asked Questions

What is the IUPAC name of 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine (CID 123641845) is 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine is c1cc2c(cc1OCC1CO1)OCCO2.
What is the InChIKey of 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is UZWJGGXRZHXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-10-11(13-4-3-12-10)5-8(1)14-6-9-7-15-9/h1-2,5,9H,3-4,6-7H2.
What are the key properties of 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine?
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 208.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 123641845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).