5-methylbenzo[g][1,3]benzodioxole

C12H10O2 — CID 90367464

IUPAC5-methylbenzo[g][1,3]benzodioxole
SMILESCc1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C12H10O2/c1-8-6-11-12(14-7-13-11)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChIKeyLHQQPWVTQUDHIQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.88
Rot. Bonds

About 5-methylbenzo[g][1,3]benzodioxole

5-methylbenzo[g][1,3]benzodioxole (PubChem CID 90367464) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-methylbenzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name5-methylbenzo[g][1,3]benzodioxole
PubChem CID90367464
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name5-methylbenzo[g][1,3]benzodioxole
SMILESCc1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C12H10O2/c1-8-6-11-12(14-7-13-11)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3
InChIKeyLHQQPWVTQUDHIQ-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
5-propan-2-ylbenzo[g][1,3]benzodioxole
CID 20616814
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
4,5-dimethyl-1,3-benzodioxole
CID 12958464
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
[1,3]dioxolo[4,5-c]quinoline
CID 45117306
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
6,8,14-trioxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),11,15,17,19-octaen-21-one
CID 135193746
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium
CID 123457115

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzo[g][1,3]benzodioxole?
The IUPAC name of 5-methylbenzo[g][1,3]benzodioxole (CID 90367464) is 5-methylbenzo[g][1,3]benzodioxole.
What is the SMILES notation for 5-methylbenzo[g][1,3]benzodioxole?
The canonical SMILES for 5-methylbenzo[g][1,3]benzodioxole is Cc1cc2c(c3ccccc13)OCO2.
What is the InChIKey of 5-methylbenzo[g][1,3]benzodioxole?
The InChIKey is LHQQPWVTQUDHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-8-6-11-12(14-7-13-11)10-5-3-2-4-9(8)10/h2-6H,7H2,1H3.
What are the key properties of 5-methylbenzo[g][1,3]benzodioxole?
5-methylbenzo[g][1,3]benzodioxole has a molecular weight of 186.21 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzo[g][1,3]benzodioxole is sourced from PubChem (CID 90367464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).