5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol

C9H10O4 — CID 117279028

IUPAC5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
SMILESOCCc1ccc2c(c1O)OCO2
InChIInChI=1S/C9H10O4/c10-4-3-6-1-2-7-9(8(6)11)13-5-12-7/h1-2,10-11H,3-5H2
InChIKeyUQXXCMUBYPOSDV-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.66
Rot. Bonds2

About 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol

5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol (PubChem CID 117279028) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
PubChem CID117279028
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
SMILESOCCc1ccc2c(c1O)OCO2
InChIInChI=1S/C9H10O4/c10-4-3-6-1-2-7-9(8(6)11)13-5-12-7/h1-2,10-11H,3-5H2
InChIKeyUQXXCMUBYPOSDV-UHFFFAOYSA-N
XLogP0.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminobutyl)-1,3-benzodioxol-4-ol
CID 117298514
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117284510
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345
5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
3-(6-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanal
CID 117317870
3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117318284
2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
CID 117284324
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol (CID 117279028) is 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol is OCCc1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol?
The InChIKey is UQXXCMUBYPOSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-4-3-6-1-2-7-9(8(6)11)13-5-12-7/h1-2,10-11H,3-5H2.
What are the key properties of 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol?
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol has a molecular weight of 182.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117279028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).