1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone

C15H16O3 — CID 71305004

IUPAC1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(C3CCOCC3)ccc2o1
InChIInChI=1S/C15H16O3/c1-10(16)15-9-13-8-12(2-3-14(13)18-15)11-4-6-17-7-5-11/h2-3,8-9,11H,4-7H2,1H3
InChIKeyMKRYPAYYHSBYIP-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.53
Rot. Bonds2

About 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone

1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone (PubChem CID 71305004) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone
PubChem CID71305004
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone
SMILESCC(=O)c1cc2cc(C3CCOCC3)ccc2o1
InChIInChI=1S/C15H16O3/c1-10(16)15-9-13-8-12(2-3-14(13)18-15)11-4-6-17-7-5-11/h2-3,8-9,11H,4-7H2,1H3
InChIKeyMKRYPAYYHSBYIP-UHFFFAOYSA-N
XLogP3.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone?
The IUPAC name of 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone (CID 71305004) is 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone?
The canonical SMILES for 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone is CC(=O)c1cc2cc(C3CCOCC3)ccc2o1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone?
The InChIKey is MKRYPAYYHSBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10(16)15-9-13-8-12(2-3-14(13)18-15)11-4-6-17-7-5-11/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone?
1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1-benzofuran-2-yl]ethanone is sourced from PubChem (CID 71305004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).