3-ethoxy-7-methyl-3H-2-benzofuran-1-one

C11H12O3 — CID 15187790

IUPAC3-ethoxy-7-methyl-3H-2-benzofuran-1-one
SMILESCCOC1OC(=O)c2c(C)cccc21
InChIInChI=1S/C11H12O3/c1-3-13-11-8-6-4-5-7(2)9(8)10(12)14-11/h4-6,11H,3H2,1-2H3
InChIKeyIWXYQBCEMWFFPN-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.20
Rot. Bonds2

About 3-ethoxy-7-methyl-3H-2-benzofuran-1-one

3-ethoxy-7-methyl-3H-2-benzofuran-1-one (PubChem CID 15187790) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-ethoxy-7-methyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-ethoxy-7-methyl-3H-2-benzofuran-1-one
PubChem CID15187790
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-ethoxy-7-methyl-3H-2-benzofuran-1-one
SMILESCCOC1OC(=O)c2c(C)cccc21
InChIInChI=1S/C11H12O3/c1-3-13-11-8-6-4-5-7(2)9(8)10(12)14-11/h4-6,11H,3H2,1-2H3
InChIKeyIWXYQBCEMWFFPN-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-methyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-ethoxy-7-methyl-3H-2-benzofuran-1-one (CID 15187790) is 3-ethoxy-7-methyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-ethoxy-7-methyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-ethoxy-7-methyl-3H-2-benzofuran-1-one is CCOC1OC(=O)c2c(C)cccc21.
What is the InChIKey of 3-ethoxy-7-methyl-3H-2-benzofuran-1-one?
The InChIKey is IWXYQBCEMWFFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-13-11-8-6-4-5-7(2)9(8)10(12)14-11/h4-6,11H,3H2,1-2H3.
What are the key properties of 3-ethoxy-7-methyl-3H-2-benzofuran-1-one?
3-ethoxy-7-methyl-3H-2-benzofuran-1-one has a molecular weight of 192.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-methyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 15187790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).