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

C18H20O4 — CID 118713512

IUPAC1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C18H20O4/c1-3-4-9-21-15-10-14-16(11(2)19)17(20)12-7-5-6-8-13(12)18(14)22-15/h5-8,15,20H,3-4,9-10H2,1-2H3
InChIKeyMDPFBNPXDQEUSH-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.83
Rot. Bonds5

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

1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (PubChem CID 118713512) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
PubChem CID118713512
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone
SMILESCCCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1
InChIInChI=1S/C18H20O4/c1-3-4-9-21-15-10-14-16(11(2)19)17(20)12-7-5-6-8-13(12)18(14)22-15/h5-8,15,20H,3-4,9-10H2,1-2H3
InChIKeyMDPFBNPXDQEUSH-UHFFFAOYSA-N
XLogP3.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The IUPAC name of 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone (CID 118713512) is 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone.
What is the SMILES notation for 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The canonical SMILES for 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is CCCCOC1Cc2c(C(C)=O)c(O)c3ccccc3c2O1.
What is the InChIKey of 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
The InChIKey is MDPFBNPXDQEUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-4-9-21-15-10-14-16(11(2)19)17(20)12-7-5-6-8-13(12)18(14)22-15/h5-8,15,20H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone?
1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone has a molecular weight of 300.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxy-5-hydroxy-2,3-dihydrobenzo[g][1]benzofuran-4-yl)ethanone is sourced from PubChem (CID 118713512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).