2,2,3,4-tetramethyl-6H-1-benzofuran

C12H16O — CID 174410642

IUPAC2,2,3,4-tetramethyl-6H-1-benzofuran
SMILESCC1=CCC=C2OC(C)(C)C(C)=C12
InChIInChI=1S/C12H16O/c1-8-6-5-7-10-11(8)9(2)12(3,4)13-10/h6-7H,5H2,1-4H3
InChIKeyGFTVZJXEFPAULE-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.35
Rot. Bonds

About 2,2,3,4-tetramethyl-6H-1-benzofuran

2,2,3,4-tetramethyl-6H-1-benzofuran (PubChem CID 174410642) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,2,3,4-tetramethyl-6H-1-benzofuran.

Molecular Properties

Compound Name2,2,3,4-tetramethyl-6H-1-benzofuran
PubChem CID174410642
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,2,3,4-tetramethyl-6H-1-benzofuran
SMILESCC1=CCC=C2OC(C)(C)C(C)=C12
InChIInChI=1S/C12H16O/c1-8-6-5-7-10-11(8)9(2)12(3,4)13-10/h6-7H,5H2,1-4H3
InChIKeyGFTVZJXEFPAULE-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4-tetramethyl-6H-1-benzofuran?
The IUPAC name of 2,2,3,4-tetramethyl-6H-1-benzofuran (CID 174410642) is 2,2,3,4-tetramethyl-6H-1-benzofuran.
What is the SMILES notation for 2,2,3,4-tetramethyl-6H-1-benzofuran?
The canonical SMILES for 2,2,3,4-tetramethyl-6H-1-benzofuran is CC1=CCC=C2OC(C)(C)C(C)=C12.
What is the InChIKey of 2,2,3,4-tetramethyl-6H-1-benzofuran?
The InChIKey is GFTVZJXEFPAULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-6-5-7-10-11(8)9(2)12(3,4)13-10/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,3,4-tetramethyl-6H-1-benzofuran?
2,2,3,4-tetramethyl-6H-1-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4-tetramethyl-6H-1-benzofuran is sourced from PubChem (CID 174410642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).