3,4,6,7-tetramethyl-1-benzofuran

C12H14O — CID 114722771

IUPAC3,4,6,7-tetramethyl-1-benzofuran
SMILESCc1cc(C)c2c(C)coc2c1C
InChIInChI=1S/C12H14O/c1-7-5-8(2)11-9(3)6-13-12(11)10(7)4/h5-6H,1-4H3
InChIKeyJXBOGQGKPNQHCZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.67
Rot. Bonds

About 3,4,6,7-tetramethyl-1-benzofuran

3,4,6,7-tetramethyl-1-benzofuran (PubChem CID 114722771) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3,4,6,7-tetramethyl-1-benzofuran.

Molecular Properties

Compound Name3,4,6,7-tetramethyl-1-benzofuran
PubChem CID114722771
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3,4,6,7-tetramethyl-1-benzofuran
SMILESCc1cc(C)c2c(C)coc2c1C
InChIInChI=1S/C12H14O/c1-7-5-8(2)11-9(3)6-13-12(11)10(7)4/h5-6H,1-4H3
InChIKeyJXBOGQGKPNQHCZ-UHFFFAOYSA-N
XLogP3.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetramethyl-1-benzofuran?
The IUPAC name of 3,4,6,7-tetramethyl-1-benzofuran (CID 114722771) is 3,4,6,7-tetramethyl-1-benzofuran.
What is the SMILES notation for 3,4,6,7-tetramethyl-1-benzofuran?
The canonical SMILES for 3,4,6,7-tetramethyl-1-benzofuran is Cc1cc(C)c2c(C)coc2c1C.
What is the InChIKey of 3,4,6,7-tetramethyl-1-benzofuran?
The InChIKey is JXBOGQGKPNQHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-7-5-8(2)11-9(3)6-13-12(11)10(7)4/h5-6H,1-4H3.
What are the key properties of 3,4,6,7-tetramethyl-1-benzofuran?
3,4,6,7-tetramethyl-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetramethyl-1-benzofuran is sourced from PubChem (CID 114722771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).