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

C11H14O4 — CID 117300233

IUPAC2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1ccc2c(c1C(C)CO)OCO2
InChIInChI=1S/C11H14O4/c1-7(5-12)10-8(13-2)3-4-9-11(10)15-6-14-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZBKSSPWYSMHFRI-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.52
Rot. Bonds3

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

2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 117300233) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID117300233
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1ccc2c(c1C(C)CO)OCO2
InChIInChI=1S/C11H14O4/c1-7(5-12)10-8(13-2)3-4-9-11(10)15-6-14-9/h3-4,7,12H,5-6H2,1-2H3
InChIKeyZBKSSPWYSMHFRI-UHFFFAOYSA-N
XLogP1.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297529
2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443582
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277
2-(5-methoxy-1,3-benzodioxol-4-yl)-2-oxoacetic acid
CID 117321217
2-(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117488076
6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321993
3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117318284
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
2-[2-(fluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 117287951

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (CID 117300233) is 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is COc1ccc2c(c1C(C)CO)OCO2.
What is the InChIKey of 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is ZBKSSPWYSMHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(5-12)10-8(13-2)3-4-9-11(10)15-6-14-9/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 210.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 117300233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).