[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol

C12H18O4 — CID 142169778

IUPAC[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol
SMILESCCOCC1COC2=C(CC(CO)C=C2)O1
InChIInChI=1S/C12H18O4/c1-2-14-7-10-8-15-11-4-3-9(6-13)5-12(11)16-10/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyKXZRZNIDIYLRQY-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.22
Rot. Bonds4

About [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol

[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol (PubChem CID 142169778) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol.

Molecular Properties

Compound Name[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol
PubChem CID142169778
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol
SMILESCCOCC1COC2=C(CC(CO)C=C2)O1
InChIInChI=1S/C12H18O4/c1-2-14-7-10-8-15-11-4-3-9(6-13)5-12(11)16-10/h3-4,9-10,13H,2,5-8H2,1H3
InChIKeyKXZRZNIDIYLRQY-UHFFFAOYSA-N
XLogP1.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol?
The IUPAC name of [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol (CID 142169778) is [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol.
What is the SMILES notation for [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol?
The canonical SMILES for [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol is CCOCC1COC2=C(CC(CO)C=C2)O1.
What is the InChIKey of [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol?
The InChIKey is KXZRZNIDIYLRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-2-14-7-10-8-15-11-4-3-9(6-13)5-12(11)16-10/h3-4,9-10,13H,2,5-8H2,1H3.
What are the key properties of [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol?
[2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol has a molecular weight of 226.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-2,3,7,8-tetrahydro-1,4-benzodioxin-7-yl]methanol is sourced from PubChem (CID 142169778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).