1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol

C11H14O3 — CID 117284494

IUPAC1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
SMILESCc1cc(CC(C)O)cc2c1OCO2
InChIInChI=1S/C11H14O3/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3,5,8,12H,4,6H2,1-2H3
InChIKeyFVUIMXDXUXOUSV-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.65
Rot. Bonds2

About 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol

1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol (PubChem CID 117284494) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
PubChem CID117284494
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol
SMILESCc1cc(CC(C)O)cc2c1OCO2
InChIInChI=1S/C11H14O3/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3,5,8,12H,4,6H2,1-2H3
InChIKeyFVUIMXDXUXOUSV-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 117297581
2-methyl-1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296103
[6-(2-methylpropyl)-1,3-benzodioxol-4-yl]boronic acid
CID 18445420
(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
4-methyl-6-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-1,3-benzodioxole
CID 59546068
1-(1,3-benzodioxol-5-yl)propan-2-ol;5-(oxiran-2-ylmethyl)-1,3-benzodioxole
CID 174391845
1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117358658
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
1-(7-bromo-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)ethanol
CID 63893287
1-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)propan-2-ol
CID 117329398
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297529
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol?
The IUPAC name of 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol (CID 117284494) is 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol?
The canonical SMILES for 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol is Cc1cc(CC(C)O)cc2c1OCO2.
What is the InChIKey of 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol?
The InChIKey is FVUIMXDXUXOUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-3-9(4-8(2)12)5-10-11(7)14-6-13-10/h3,5,8,12H,4,6H2,1-2H3.
What are the key properties of 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol?
1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol has a molecular weight of 194.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1,3-benzodioxol-5-yl)propan-2-ol is sourced from PubChem (CID 117284494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).