(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol

C11H14O3 — CID 16720165

IUPAC(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
SMILESC[C@@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1
InChIKeyMXVLFOMMAUNPJY-MRVPVSSYSA-N
MW194.23 g/mol
LogP1.59
Rot. Bonds3

About (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol

(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol (PubChem CID 16720165) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
PubChem CID16720165
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
SMILESC[C@@H](CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H14O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1
InChIKeyMXVLFOMMAUNPJY-MRVPVSSYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
(2S)-5-(1,3-benzodioxol-5-yl)-2-methylpentan-1-ol
CID 163079449
(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
CID 10932365
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
3-(1,3-benzodioxol-5-ylmethylamino)-2-methylpropan-1-ol
CID 65034367
(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
CID 28804627
2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 170893090
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol (CID 16720165) is (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol is C[C@@H](CO)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol?
The InChIKey is MXVLFOMMAUNPJY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8,12H,4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol?
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol has a molecular weight of 194.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 16720165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).