6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine

C14H14O4 — CID 168527261

IUPAC6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
SMILESCOCC1COc2ccc(-c3ccco3)cc2O1
InChIInChI=1S/C14H14O4/c1-15-8-11-9-17-13-5-4-10(7-14(13)18-11)12-3-2-6-16-12/h2-7,11H,8-9H2,1H3
InChIKeyMVNCHOGLSYNYTI-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.73
Rot. Bonds3

About 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine

6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine (PubChem CID 168527261) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
PubChem CID168527261
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
SMILESCOCC1COc2ccc(-c3ccco3)cc2O1
InChIInChI=1S/C14H14O4/c1-15-8-11-9-17-13-5-4-10(7-14(13)18-11)12-3-2-6-16-12/h2-7,11H,8-9H2,1H3
InChIKeyMVNCHOGLSYNYTI-UHFFFAOYSA-N
XLogP2.73
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]furan-2-carbaldehyde
CID 169334621
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
3-(bromomethyl)-6-methoxy-2,3-dihydro-1,4-benzodioxine
CID 10658909
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydroxylamine
CID 88501320
dimethyl (E)-2-[[3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]amino]but-2-enedioate
CID 168568423
N-benzyl-1-[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 10731859
methyl 6-amino-2-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 167227548
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
CID 18177409
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
2,3-dihydro-1,4-benzodioxin-3-ylmethyl acetate
CID 3744758
(2R)-2-(methoxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 58740927
methane;3-methoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine;3-(methoxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 157072268

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine (CID 168527261) is 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine is COCC1COc2ccc(-c3ccco3)cc2O1.
What is the InChIKey of 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine?
The InChIKey is MVNCHOGLSYNYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-15-8-11-9-17-13-5-4-10(7-14(13)18-11)12-3-2-6-16-12/h2-7,11H,8-9H2,1H3.
What are the key properties of 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine?
6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine has a molecular weight of 246.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 168527261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).