(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol

C11H14O4 — CID 129411607

IUPAC(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCCOC[C@@H]1COc2cc(O)ccc2O1
InChIInChI=1S/C11H14O4/c1-2-13-6-9-7-14-11-5-8(12)3-4-10(11)15-9/h3-5,9,12H,2,6-7H2,1H3/t9-/m1/s1
InChIKeyATOBIKDXVGSYJV-SECBINFHSA-N
MW210.23 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol

(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 129411607) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID129411607
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCCOC[C@@H]1COc2cc(O)ccc2O1
InChIInChI=1S/C11H14O4/c1-2-13-6-9-7-14-11-5-8(12)3-4-10(11)15-9/h3-5,9,12H,2,6-7H2,1H3/t9-/m1/s1
InChIKeyATOBIKDXVGSYJV-SECBINFHSA-N
XLogP1.57
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 23175924
3-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-ol;hydrochloride
CID 18923890
3-[(2R)-2-(phenylmethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propane-1-sulfonic acid
CID 91081623
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
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
2-[2-(2-butoxyethoxy)ethoxymethyl]-1,3-benzodioxol-5-ol
CID 66973912
(6-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl acetate
CID 134174574
(2S)-2-[[(3R)-3-(3-hydroxyphenyl)piperidin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 25175171
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
3-(4-ethoxypiperidin-1-yl)-2,3-dihydro-1-benzofuran-6-ol
CID 82981566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol (CID 129411607) is (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol is CCOC[C@@H]1COc2cc(O)ccc2O1.
What is the InChIKey of (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is ATOBIKDXVGSYJV-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-13-6-9-7-14-11-5-8(12)3-4-10(11)15-9/h3-5,9,12H,2,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol?
(2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 210.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 129411607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).