5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol

C10H12O4 — CID 117286045

IUPAC5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
SMILESCC(C)(O)c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H12O4/c1-10(2,12)6-3-4-7-9(8(6)11)14-5-13-7/h3-4,11-12H,5H2,1-2H3
InChIKeyKRACIIWWBSMDBW-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.35
Rot. Bonds1

About 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol

5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol (PubChem CID 117286045) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
PubChem CID117286045
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol
SMILESCC(C)(O)c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H12O4/c1-10(2,12)6-3-4-7-9(8(6)11)14-5-13-7/h3-4,11-12H,5H2,1-2H3
InChIKeyKRACIIWWBSMDBW-UHFFFAOYSA-N
XLogP1.35
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-2-methylpropyl)-1,3-benzodioxol-4-ol
CID 117298709
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-(1,3-benzodioxol-5-yl)propan-2-ol
CID 11819632
2-(4-chloro-1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 117329555
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 117302822
5-(1-hydroxycyclopropyl)-1,3-benzodioxol-4-ol
CID 117284324
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-benzodioxol-4-ol
CID 117301123
5-[(1S)-1,2-diaminoethyl]-1,3-benzodioxol-4-ol
CID 130632951
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-2-ol
CID 117325345
4-(5-hydroxy-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-ol
CID 58219553
5-(aminooxymethyl)-1,3-benzodioxol-4-ol
CID 117279345

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol (CID 117286045) is 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol is CC(C)(O)c1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol?
The InChIKey is KRACIIWWBSMDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-10(2,12)6-3-4-7-9(8(6)11)14-5-13-7/h3-4,11-12H,5H2,1-2H3.
What are the key properties of 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol?
5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol has a molecular weight of 196.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117286045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).