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

C11H14O3 — CID 84665334

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
SMILESCC(C)(O)C1COc2ccccc2O1
InChIInChI=1S/C11H14O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10,12H,7H2,1-2H3
InChIKeyOHSAUBFZUGGSEG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.60
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol (PubChem CID 84665334) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
PubChem CID84665334
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol
SMILESCC(C)(O)C1COc2ccccc2O1
InChIInChI=1S/C11H14O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10,12H,7H2,1-2H3
InChIKeyOHSAUBFZUGGSEG-UHFFFAOYSA-N
XLogP1.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoropropan-2-yl)-2,3-dihydro-1,4-benzodioxine
CID 84666894
3-tert-butyl-2,3-dihydro-1,4-benzodioxine;3-tert-butyl-2,3-dihydrobenzo[g][1,4]benzodioxine;ethane;methane
CID 160744755
3-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 22015999
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
N-(2-hydroxy-2-methylpropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 79291238
(3R)-3-[(2S)-oxiran-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 12736709
(3S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 26006861
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79793283
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-3-propylguanidine
CID 75371551

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol (CID 84665334) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol is CC(C)(O)C1COc2ccccc2O1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol?
The InChIKey is OHSAUBFZUGGSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-6,10,12H,7H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol has a molecular weight of 194.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)propan-2-ol is sourced from PubChem (CID 84665334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).