2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol

C16H23NO4 — CID 66727166

IUPAC2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol
SMILESOCCOC(CC1COc2ccccc2O1)C1CCNC1
InChIInChI=1S/C16H23NO4/c18-7-8-19-16(12-5-6-17-10-12)9-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,12-13,16-18H,5-11H2
InChIKeyGKNIRDRJPOIEOH-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.20
Rot. Bonds6

About 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol

2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol (PubChem CID 66727166) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol
PubChem CID66727166
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol
SMILESOCCOC(CC1COc2ccccc2O1)C1CCNC1
InChIInChI=1S/C16H23NO4/c18-7-8-19-16(12-5-6-17-10-12)9-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,12-13,16-18H,5-11H2
InChIKeyGKNIRDRJPOIEOH-UHFFFAOYSA-N
XLogP1.20
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylpiperidin-4-amine
CID 43607109
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpyrrolidin-3-amine
CID 63301028
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-hydroxyethyl] carbamate
CID 3037937
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)propane-1,2-diol
CID 79683293
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpiperidin-4-amine
CID 60805439
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepane
CID 23618084
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(3-methylpiperidin-3-yl)ethyl] acetate
CID 90843458
2-[[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylpiperidin-3-yl]methoxy]ethanol
CID 66726872
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole
CID 86275254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol?
The IUPAC name of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol (CID 66727166) is 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol?
The canonical SMILES for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol is OCCOC(CC1COc2ccccc2O1)C1CCNC1.
What is the InChIKey of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol?
The InChIKey is GKNIRDRJPOIEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-7-8-19-16(12-5-6-17-10-12)9-13-11-20-14-3-1-2-4-15(14)21-13/h1-4,12-13,16-18H,5-11H2.
What are the key properties of 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol?
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol has a molecular weight of 293.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-pyrrolidin-3-ylethoxy]ethanol is sourced from PubChem (CID 66727166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).