(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate

C12H12O4 — CID 121010304

IUPAC(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate
SMILESCOc1cc(C)c2c(OC(C)=O)coc2c1
InChIInChI=1S/C12H12O4/c1-7-4-9(14-3)5-10-12(7)11(6-15-10)16-8(2)13/h4-6H,1-3H3
InChIKeyTYUMPAQUOVOBJQ-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.68
Rot. Bonds2

About (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate

(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate (PubChem CID 121010304) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate.

Molecular Properties

Compound Name(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate
PubChem CID121010304
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate
SMILESCOc1cc(C)c2c(OC(C)=O)coc2c1
InChIInChI=1S/C12H12O4/c1-7-4-9(14-3)5-10-12(7)11(6-15-10)16-8(2)13/h4-6H,1-3H3
InChIKeyTYUMPAQUOVOBJQ-UHFFFAOYSA-N
XLogP2.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate?
The IUPAC name of (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate (CID 121010304) is (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate.
What is the SMILES notation for (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate?
The canonical SMILES for (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate is COc1cc(C)c2c(OC(C)=O)coc2c1.
What is the InChIKey of (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate?
The InChIKey is TYUMPAQUOVOBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-4-9(14-3)5-10-12(7)11(6-15-10)16-8(2)13/h4-6H,1-3H3.
What are the key properties of (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate?
(6-methoxy-4-methyl-1-benzofuran-3-yl) acetate has a molecular weight of 220.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-4-methyl-1-benzofuran-3-yl) acetate is sourced from PubChem (CID 121010304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).