(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol

C11H14O4 — CID 164702589

IUPAC(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
SMILESCC[C@@H](O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O4/c1-2-8(12)6-13-9-3-4-10-11(5-9)15-7-14-10/h3-5,8,12H,2,6-7H2,1H3/t8-/m1/s1
InChIKeyGJGGOGZYECYVQV-MRVPVSSYSA-N
MW210.23 g/mol
LogP1.57
Rot. Bonds4

About (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol

(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol (PubChem CID 164702589) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
PubChem CID164702589
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
SMILESCC[C@@H](O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O4/c1-2-8(12)6-13-9-3-4-10-11(5-9)15-7-14-10/h3-5,8,12H,2,6-7H2,1H3/t8-/m1/s1
InChIKeyGJGGOGZYECYVQV-MRVPVSSYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yloxy)pentan-2-ol
CID 62041506
(2R)-1-(1,3-benzodioxol-5-yloxy)-4-methylpentan-2-ol
CID 164702579
1-(1,3-benzodioxol-5-yloxy)-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 4745670
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 2134518
(2S)-1-(azepan-1-ium-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol
CID 2134526
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
[(2R)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
CID 2134530
1-(1,3-benzodioxol-5-yloxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53350591
2-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]guanidine;hydrobromide
CID 51131593
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]propan-2-ol
CID 1051437
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 878803

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol?
The IUPAC name of (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol (CID 164702589) is (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol.
What is the SMILES notation for (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol?
The canonical SMILES for (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol is CC[C@@H](O)COc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol?
The InChIKey is GJGGOGZYECYVQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-8(12)6-13-9-3-4-10-11(5-9)15-7-14-10/h3-5,8,12H,2,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol?
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol has a molecular weight of 210.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol is sourced from PubChem (CID 164702589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).