5-propyl-1,3-benzodioxole

C10H12O2 — CID 7197

IUPAC5-propyl-1,3-benzodioxole
SMILESCCCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
InChIKeyMYEIDJPOUKASEC-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.37
Rot. Bonds2

About 5-propyl-1,3-benzodioxole

5-propyl-1,3-benzodioxole (PubChem CID 7197) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-propyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-propyl-1,3-benzodioxole
PubChem CID7197
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-propyl-1,3-benzodioxole
SMILESCCCc1ccc2c(c1)OCO2
InChIInChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
InChIKeyMYEIDJPOUKASEC-UHFFFAOYSA-N
XLogP2.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,3-benzodioxole?
The IUPAC name of 5-propyl-1,3-benzodioxole (CID 7197) is 5-propyl-1,3-benzodioxole.
What is the SMILES notation for 5-propyl-1,3-benzodioxole?
The canonical SMILES for 5-propyl-1,3-benzodioxole is CCCc1ccc2c(c1)OCO2.
What is the InChIKey of 5-propyl-1,3-benzodioxole?
The InChIKey is MYEIDJPOUKASEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3.
What are the key properties of 5-propyl-1,3-benzodioxole?
5-propyl-1,3-benzodioxole has a molecular weight of 164.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,3-benzodioxole is sourced from PubChem (CID 7197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).