3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol

C12H16O3 — CID 82077632

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
SMILESCC(CCO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16O3/c1-9(4-5-13)10-2-3-11-12(8-10)15-7-6-14-11/h2-3,8-9,13H,4-7H2,1H3
InChIKeyHOCFVIDYDUSXLQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.94
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol

3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol (PubChem CID 82077632) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
PubChem CID82077632
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
SMILESCC(CCO)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H16O3/c1-9(4-5-13)10-2-3-11-12(8-10)15-7-6-14-11/h2-3,8-9,13H,4-7H2,1H3
InChIKeyHOCFVIDYDUSXLQ-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diol
CID 45122033
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 95445608
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(methylamino)propan-1-ol
CID 64813643
4-(2,3-dihydro-1,4-benzodioxin-6-yl)pentanenitrile
CID 83922145
4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-methylbutan-1-ol
CID 66089700
11-[(2S)-pentan-2-yl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
CID 7780742
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412
6-(4-bromopentan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 64720151
6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 22951095
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol (CID 82077632) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol is CC(CCO)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The InChIKey is HOCFVIDYDUSXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(4-5-13)10-2-3-11-12(8-10)15-7-6-14-11/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol is sourced from PubChem (CID 82077632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).