2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol

C11H14O3 — CID 105424279

IUPAC2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCc1cc2c(cc1C(C)CO)OCO2
InChIInChI=1S/C11H14O3/c1-7-3-10-11(14-6-13-10)4-9(7)8(2)5-12/h3-4,8,12H,5-6H2,1-2H3
InChIKeyAIHLQBUVFSMPNV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.82
Rot. Bonds2

About 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol

2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 105424279) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID105424279
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCc1cc2c(cc1C(C)CO)OCO2
InChIInChI=1S/C11H14O3/c1-7-3-10-11(14-6-13-10)4-9(7)8(2)5-12/h3-4,8,12H,5-6H2,1-2H3
InChIKeyAIHLQBUVFSMPNV-UHFFFAOYSA-N
XLogP1.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-1,3-benzodioxol-5-yl)butanal
CID 117294630
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297529
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 105424219
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117316293
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
2-[6-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]propan-1-ol
CID 117362154
1,3-diamino-1-(6-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 116942599

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol (CID 105424279) is 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol is Cc1cc2c(cc1C(C)CO)OCO2.
What is the InChIKey of 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is AIHLQBUVFSMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-10-11(14-6-13-10)4-9(7)8(2)5-12/h3-4,8,12H,5-6H2,1-2H3.
What are the key properties of 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol?
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 194.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 105424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).