(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol

C10H12O4 — CID 10932365

IUPAC(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
SMILESOC[C@H](O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2/t8-/m1/s1
InChIKeyFYDVPEVHFUBOJG-MRVPVSSYSA-N
MW196.20 g/mol
LogP0.31
Rot. Bonds3

About (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol

(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol (PubChem CID 10932365) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
PubChem CID10932365
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
SMILESOC[C@H](O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2/t8-/m1/s1
InChIKeyFYDVPEVHFUBOJG-MRVPVSSYSA-N
XLogP0.31
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
CID 28804627
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 170893090
1-(1,3-benzodioxol-5-yl)-3-propan-2-yloxypropan-2-ol
CID 12997542
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
1-(1,3-benzodioxol-5-yl)-3-piperazin-1-ylpropan-2-ol
CID 82303720
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
(2R)-3-[2,5-bis[2-(1,3-benzodioxol-5-yl)ethyl]pyrrolidin-1-yl]propane-1,2-diol;hydrochloride
CID 71624626
1-(1,3-benzodioxol-5-yl)pentan-2-ol;butylbenzene
CID 172837162
[1-amino-2-(1,3-benzodioxol-5-yl)ethylidene]azanium
CID 6346816

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol?
The IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol (CID 10932365) is (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol?
The canonical SMILES for (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol is OC[C@H](O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol?
The InChIKey is FYDVPEVHFUBOJG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O4/c11-5-8(12)3-7-1-2-9-10(4-7)14-6-13-9/h1-2,4,8,11-12H,3,5-6H2/t8-/m1/s1.
What are the key properties of (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol?
(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol has a molecular weight of 196.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol is sourced from PubChem (CID 10932365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).