4,6-dimethyl-1,3-benzodioxol-5-ol

C9H10O3 — CID 59638998

IUPAC4,6-dimethyl-1,3-benzodioxol-5-ol
SMILESCc1cc2c(c(C)c1O)OCO2
InChIInChI=1S/C9H10O3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3,10H,4H2,1-2H3
InChIKeyUIHXJYDYDIPKMG-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.74
Rot. Bonds

About 4,6-dimethyl-1,3-benzodioxol-5-ol

4,6-dimethyl-1,3-benzodioxol-5-ol (PubChem CID 59638998) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name4,6-dimethyl-1,3-benzodioxol-5-ol
PubChem CID59638998
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name4,6-dimethyl-1,3-benzodioxol-5-ol
SMILESCc1cc2c(c(C)c1O)OCO2
InChIInChI=1S/C9H10O3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3,10H,4H2,1-2H3
InChIKeyUIHXJYDYDIPKMG-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1,3-benzodioxole
CID 12958464
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297529
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-one
CID 117294702
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
2-(5,6-dimethyl-1,3-benzodioxol-4-yl)-2-hydroxyacetic acid
CID 117321470
1-(5,6-dimethyl-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 117293470
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
4-(5,6-dimethyl-1,3-benzodioxol-4-yl)butanoic acid
CID 117344729
2-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-oxoacetic acid
CID 117358406
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)-2,2-dimethylpropanoic acid
CID 117379069

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-benzodioxol-5-ol?
The IUPAC name of 4,6-dimethyl-1,3-benzodioxol-5-ol (CID 59638998) is 4,6-dimethyl-1,3-benzodioxol-5-ol.
What is the SMILES notation for 4,6-dimethyl-1,3-benzodioxol-5-ol?
The canonical SMILES for 4,6-dimethyl-1,3-benzodioxol-5-ol is Cc1cc2c(c(C)c1O)OCO2.
What is the InChIKey of 4,6-dimethyl-1,3-benzodioxol-5-ol?
The InChIKey is UIHXJYDYDIPKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-5-3-7-9(12-4-11-7)6(2)8(5)10/h3,10H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,3-benzodioxol-5-ol?
4,6-dimethyl-1,3-benzodioxol-5-ol has a molecular weight of 166.18 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-benzodioxol-5-ol is sourced from PubChem (CID 59638998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).