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

C17H18O4 — CID 118713510

IUPAC1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C17H18O4/c1-3-8-20-14-9-13-15(10(2)18)16(19)11-6-4-5-7-12(11)17(13)21-14/h4-7,14,19H,3,8-9H2,1-2H3
InChIKeyWCGLTXDRLGGKEK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.44
Rot. Bonds4

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

1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (PubChem CID 118713510) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
PubChem CID118713510
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C17H18O4/c1-3-8-20-14-9-13-15(10(2)18)16(19)11-6-4-5-7-12(11)17(13)21-14/h4-7,14,19H,3,8-9H2,1-2H3
InChIKeyWCGLTXDRLGGKEK-UHFFFAOYSA-N
XLogP3.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (CID 118713510) is 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is CCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1.
What is the InChIKey of 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The InChIKey is WCGLTXDRLGGKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-8-20-14-9-13-15(10(2)18)16(19)11-6-4-5-7-12(11)17(13)21-14/h4-7,14,19H,3,8-9H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-propoxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is sourced from PubChem (CID 118713510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).