2,3,6-trimethyl-1-benzofuran

C11H12O — CID 3014542

IUPAC2,3,6-trimethyl-1-benzofuran
SMILESCc1ccc2c(C)c(C)oc2c1
InChIInChI=1S/C11H12O/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3
InChIKeyJHWKKCNDPCOCDL-UHFFFAOYSA-N
MW160.22 g/mol
LogP3.36
Rot. Bonds

About 2,3,6-trimethyl-1-benzofuran

2,3,6-trimethyl-1-benzofuran (PubChem CID 3014542) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,3,6-trimethyl-1-benzofuran.

Molecular Properties

Compound Name2,3,6-trimethyl-1-benzofuran
PubChem CID3014542
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2,3,6-trimethyl-1-benzofuran
SMILESCc1ccc2c(C)c(C)oc2c1
InChIInChI=1S/C11H12O/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3
InChIKeyJHWKKCNDPCOCDL-UHFFFAOYSA-N
XLogP3.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-1-benzofuran?
The IUPAC name of 2,3,6-trimethyl-1-benzofuran (CID 3014542) is 2,3,6-trimethyl-1-benzofuran.
What is the SMILES notation for 2,3,6-trimethyl-1-benzofuran?
The canonical SMILES for 2,3,6-trimethyl-1-benzofuran is Cc1ccc2c(C)c(C)oc2c1.
What is the InChIKey of 2,3,6-trimethyl-1-benzofuran?
The InChIKey is JHWKKCNDPCOCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-7-4-5-10-8(2)9(3)12-11(10)6-7/h4-6H,1-3H3.
What are the key properties of 2,3,6-trimethyl-1-benzofuran?
2,3,6-trimethyl-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-1-benzofuran is sourced from PubChem (CID 3014542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).