5-propan-2-ylbenzo[g][1,3]benzodioxole

C14H14O2 — CID 20616814

IUPAC5-propan-2-ylbenzo[g][1,3]benzodioxole
SMILESCC(C)c1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C14H14O2/c1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3
InChIKeySWPCQVSICMEKBA-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.69
Rot. Bonds1

About 5-propan-2-ylbenzo[g][1,3]benzodioxole

5-propan-2-ylbenzo[g][1,3]benzodioxole (PubChem CID 20616814) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-propan-2-ylbenzo[g][1,3]benzodioxole.

Molecular Properties

Compound Name5-propan-2-ylbenzo[g][1,3]benzodioxole
PubChem CID20616814
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-propan-2-ylbenzo[g][1,3]benzodioxole
SMILESCC(C)c1cc2c(c3ccccc13)OCO2
InChIInChI=1S/C14H14O2/c1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3
InChIKeySWPCQVSICMEKBA-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylbenzo[g][1,3]benzodioxole
CID 90367464
benzo[g][1,3]benzodioxole-5-carbaldehyde
CID 12524007
4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole
CID 151378928
7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole
CID 153438844
N,N-diethyl-1-[(5-propan-2-yl-1,3-benzodioxol-4-yl)oxy]ethanamine
CID 151761887
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
4-methoxy-6-propan-2-yl-1,3-benzodioxole;4-methyl-6-propan-2-yl-1,3-benzodioxole;4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-ylbenzo[f][1,3]benzodioxole;5-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-ylbenzo[g][1,3]benzodioxole;7-propan-2-ylbenzo[g][1,3]benzodioxole;8-propan-2-ylbenzo[g][1,3]benzodioxole;9-propan-2-ylbenzo[g][1,3]benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 161200550
[1,3]dioxolo[4,5-c]quinoline
CID 45117306
4-chloro-6-propan-2-yl-1,3-benzodioxole
CID 58332059
6-(1-phenylethyl)-1,3-benzodioxol-5-ol
CID 13035012
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
2-methyl-3-(6-propan-2-yl-1,3-benzodioxol-5-yl)propanoic acid
CID 117378866

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylbenzo[g][1,3]benzodioxole?
The IUPAC name of 5-propan-2-ylbenzo[g][1,3]benzodioxole (CID 20616814) is 5-propan-2-ylbenzo[g][1,3]benzodioxole.
What is the SMILES notation for 5-propan-2-ylbenzo[g][1,3]benzodioxole?
The canonical SMILES for 5-propan-2-ylbenzo[g][1,3]benzodioxole is CC(C)c1cc2c(c3ccccc13)OCO2.
What is the InChIKey of 5-propan-2-ylbenzo[g][1,3]benzodioxole?
The InChIKey is SWPCQVSICMEKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-9(2)12-7-13-14(16-8-15-13)11-6-4-3-5-10(11)12/h3-7,9H,8H2,1-2H3.
What are the key properties of 5-propan-2-ylbenzo[g][1,3]benzodioxole?
5-propan-2-ylbenzo[g][1,3]benzodioxole has a molecular weight of 214.26 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylbenzo[g][1,3]benzodioxole is sourced from PubChem (CID 20616814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).