2-(1,3-benzodioxol-5-yl)propan-2-ol

C10H12O3 — CID 11819632

IUPAC2-(1,3-benzodioxol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-10(2,11)7-3-4-8-9(5-7)13-6-12-8/h3-5,11H,6H2,1-2H3
InChIKeySEWDXLUTUHQGNS-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.64
Rot. Bonds1

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

2-(1,3-benzodioxol-5-yl)propan-2-ol (PubChem CID 11819632) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)propan-2-ol
PubChem CID11819632
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(1,3-benzodioxol-5-yl)propan-2-ol
SMILESCC(C)(O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O3/c1-10(2,11)7-3-4-8-9(5-7)13-6-12-8/h3-5,11H,6H2,1-2H3
InChIKeySEWDXLUTUHQGNS-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-bromo-1,1-difluoropropan-2-ol
CID 107140483
(1S)-1-(1,3-benzodioxol-5-yl)-1-cyclopropylethanol
CID 97294109
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
(2S)-2-amino-2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93471595
4-amino-2-(1,3-benzodioxol-5-yl)butan-2-ol
CID 82395145
5-(1,1-difluoro-2,2-dimethylpropyl)-1,3-benzodioxole
CID 154618355
2-amino-1-(1,3-benzodioxol-5-yl)propane-1,1-diol
CID 162733869
2-(1,3-benzodioxol-5-yl)-3-methylbutan-2-amine
CID 82283449
(2R)-2-amino-2-(1,3-benzodioxol-5-yl)propanenitrile
CID 30116351
3-(1,3-benzodioxol-5-yl)-3-hydroxypentanoic acid
CID 82049199
2-(1,3-benzodioxol-5-yl)-2-methylsulfanylpropanoic acid
CID 82236670
1,3-benzodioxol-5-yl-bis(dimethoxyphosphoryl)methanol
CID 11748942

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)propan-2-ol?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)propan-2-ol (CID 11819632) is 2-(1,3-benzodioxol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)propan-2-ol?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)propan-2-ol is CC(C)(O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)propan-2-ol?
The InChIKey is SEWDXLUTUHQGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(2,11)7-3-4-8-9(5-7)13-6-12-8/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)propan-2-ol?
2-(1,3-benzodioxol-5-yl)propan-2-ol has a molecular weight of 180.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)propan-2-ol is sourced from PubChem (CID 11819632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).