4,6-dimethyl-2-propyl-1-benzofuran

C13H16O — CID 146227493

IUPAC4,6-dimethyl-2-propyl-1-benzofuran
SMILESCCCc1cc2c(C)cc(C)cc2o1
InChIInChI=1S/C13H16O/c1-4-5-11-8-12-10(3)6-9(2)7-13(12)14-11/h6-8H,4-5H2,1-3H3
InChIKeyJAGUPFDDEOKNJJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP4.00
Rot. Bonds2

About 4,6-dimethyl-2-propyl-1-benzofuran

4,6-dimethyl-2-propyl-1-benzofuran (PubChem CID 146227493) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4,6-dimethyl-2-propyl-1-benzofuran.

Molecular Properties

Compound Name4,6-dimethyl-2-propyl-1-benzofuran
PubChem CID146227493
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4,6-dimethyl-2-propyl-1-benzofuran
SMILESCCCc1cc2c(C)cc(C)cc2o1
InChIInChI=1S/C13H16O/c1-4-5-11-8-12-10(3)6-9(2)7-13(12)14-11/h6-8H,4-5H2,1-3H3
InChIKeyJAGUPFDDEOKNJJ-UHFFFAOYSA-N
XLogP4.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propyl-1-benzofuran?
The IUPAC name of 4,6-dimethyl-2-propyl-1-benzofuran (CID 146227493) is 4,6-dimethyl-2-propyl-1-benzofuran.
What is the SMILES notation for 4,6-dimethyl-2-propyl-1-benzofuran?
The canonical SMILES for 4,6-dimethyl-2-propyl-1-benzofuran is CCCc1cc2c(C)cc(C)cc2o1.
What is the InChIKey of 4,6-dimethyl-2-propyl-1-benzofuran?
The InChIKey is JAGUPFDDEOKNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-4-5-11-8-12-10(3)6-9(2)7-13(12)14-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-propyl-1-benzofuran?
4,6-dimethyl-2-propyl-1-benzofuran has a molecular weight of 188.27 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propyl-1-benzofuran is sourced from PubChem (CID 146227493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).