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

C11H12O3 — CID 14293568

IUPAC2-(1,4-benzodioxin-3-yl)propan-2-ol
SMILESCC(C)(O)C1=COc2ccccc2O1
InChIInChI=1S/C11H12O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-7,12H,1-2H3
InChIKeyUCROBFMUHUZELN-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.07
Rot. Bonds1

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

2-(1,4-benzodioxin-3-yl)propan-2-ol (PubChem CID 14293568) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(1,4-benzodioxin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,4-benzodioxin-3-yl)propan-2-ol
PubChem CID14293568
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(1,4-benzodioxin-3-yl)propan-2-ol
SMILESCC(C)(O)C1=COc2ccccc2O1
InChIInChI=1S/C11H12O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-7,12H,1-2H3
InChIKeyUCROBFMUHUZELN-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[amino-bis(1,4-benzodioxin-3-yl)methyl]phenol
CID 22664077
1,4-benzodioxin-3-amine
CID 69264679
2-(1,4-benzodioxin-3-ylamino)acetic acid
CID 23180365
1-(1,4-benzodioxin-3-yl)-2-(tert-butylamino)ethanol
CID 12733302
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
CID 174614993
tert-butyl 3,5-bis(1,4-benzodioxin-3-yl)-1,4-oxazine-4-carboxylate
CID 16733219
(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride
CID 175546555
2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol
CID 164562172
1,4-benzodioxine
CID 158348476
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179
thieno[3,4-b][1,4]benzodioxine
CID 11159801
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-benzodioxin-3-yl)propan-2-ol?
The IUPAC name of 2-(1,4-benzodioxin-3-yl)propan-2-ol (CID 14293568) is 2-(1,4-benzodioxin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1,4-benzodioxin-3-yl)propan-2-ol?
The canonical SMILES for 2-(1,4-benzodioxin-3-yl)propan-2-ol is CC(C)(O)C1=COc2ccccc2O1.
What is the InChIKey of 2-(1,4-benzodioxin-3-yl)propan-2-ol?
The InChIKey is UCROBFMUHUZELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-11(2,12)10-7-13-8-5-3-4-6-9(8)14-10/h3-7,12H,1-2H3.
What are the key properties of 2-(1,4-benzodioxin-3-yl)propan-2-ol?
2-(1,4-benzodioxin-3-yl)propan-2-ol has a molecular weight of 192.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-benzodioxin-3-yl)propan-2-ol is sourced from PubChem (CID 14293568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).