1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone

C16H16O4 — CID 118713509

IUPAC1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C16H16O4/c1-3-19-13-8-12-14(9(2)17)15(18)10-6-4-5-7-11(10)16(12)20-13/h4-7,13,18H,3,8H2,1-2H3
InChIKeyGYIGUYFJZKXSBJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone

1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (PubChem CID 118713509) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
PubChem CID118713509
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C16H16O4/c1-3-19-13-8-12-14(9(2)17)15(18)10-6-4-5-7-11(10)16(12)20-13/h4-7,13,18H,3,8H2,1-2H3
InChIKeyGYIGUYFJZKXSBJ-UHFFFAOYSA-N
XLogP3.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The IUPAC name of 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (CID 118713509) is 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is CCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1.
What is the InChIKey of 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The InChIKey is GYIGUYFJZKXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-19-13-8-12-14(9(2)17)15(18)10-6-4-5-7-11(10)16(12)20-13/h4-7,13,18H,3,8H2,1-2H3.
What are the key properties of 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone has a molecular weight of 272.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is sourced from PubChem (CID 118713509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).