2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol

C11H14O4 — CID 117300085

IUPAC2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
SMILESCOCc1ccc(CCO)c2c1OCO2
InChIInChI=1S/C11H14O4/c1-13-6-9-3-2-8(4-5-12)10-11(9)15-7-14-10/h2-3,12H,4-7H2,1H3
InChIKeySCJCNSZHSDZROR-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds4

About 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol

2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol (PubChem CID 117300085) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol.

Molecular Properties

Compound Name2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
PubChem CID117300085
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
SMILESCOCc1ccc(CCO)c2c1OCO2
InChIInChI=1S/C11H14O4/c1-13-6-9-3-2-8(4-5-12)10-11(9)15-7-14-10/h2-3,12H,4-7H2,1H3
InChIKeySCJCNSZHSDZROR-UHFFFAOYSA-N
XLogP1.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-2-methylpropan-1-ol
CID 117349253
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
N-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]methyl]hydroxylamine
CID 117323156
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
2-[5-bromo-2-(methoxymethyl)phenyl]ethanol
CID 117364057
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
5-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117443796
8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 117293182
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
2-[5-(methoxymethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 117321473

Frequently Asked Questions

What is the IUPAC name of 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol?
The IUPAC name of 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol (CID 117300085) is 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol.
What is the SMILES notation for 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol?
The canonical SMILES for 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol is COCc1ccc(CCO)c2c1OCO2.
What is the InChIKey of 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol?
The InChIKey is SCJCNSZHSDZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-6-9-3-2-8(4-5-12)10-11(9)15-7-14-10/h2-3,12H,4-7H2,1H3.
What are the key properties of 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol?
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol is sourced from PubChem (CID 117300085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).