2-propyl-1-benzofuran

C11H12O — CID 1375545

IUPAC2-propyl-1-benzofuran
SMILESCCCc1cc2ccccc2o1
InChIInChI=1S/C11H12O/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8H,2,5H2,1H3
InChIKeyUKYIWGPUGDLWFB-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.39
Rot. Bonds2

About 2-propyl-1-benzofuran

2-propyl-1-benzofuran (PubChem CID 1375545) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-propyl-1-benzofuran.

Molecular Properties

Compound Name2-propyl-1-benzofuran
PubChem CID1375545
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-propyl-1-benzofuran
SMILESCCCc1cc2ccccc2o1
InChIInChI=1S/C11H12O/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8H,2,5H2,1H3
InChIKeyUKYIWGPUGDLWFB-UHFFFAOYSA-N
XLogP3.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-benzofuran?
The IUPAC name of 2-propyl-1-benzofuran (CID 1375545) is 2-propyl-1-benzofuran.
What is the SMILES notation for 2-propyl-1-benzofuran?
The canonical SMILES for 2-propyl-1-benzofuran is CCCc1cc2ccccc2o1.
What is the InChIKey of 2-propyl-1-benzofuran?
The InChIKey is UKYIWGPUGDLWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-5-10-8-9-6-3-4-7-11(9)12-10/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-propyl-1-benzofuran?
2-propyl-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-benzofuran is sourced from PubChem (CID 1375545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).