1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone

C10H12O2 — CID 11137471

IUPAC1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)C1C=C2COCC2=CC1
InChIInChI=1S/C10H12O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h3-4,8H,2,5-6H2,1H3
InChIKeyIUOMWSXTSMXNPV-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.48
Rot. Bonds1

About 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone

1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone (PubChem CID 11137471) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
PubChem CID11137471
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
SMILESCC(=O)C1C=C2COCC2=CC1
InChIInChI=1S/C10H12O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h3-4,8H,2,5-6H2,1H3
InChIKeyIUOMWSXTSMXNPV-UHFFFAOYSA-N
XLogP1.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,3,5,6-tetrahydro-2-benzofuran-5-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

Related Compounds

1-(7-Ethyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10511946
1-(4-Ethyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10607774
1-(4-Trimethylsilyl-1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone
CID 10776226
2-(2,3,3a,7a-Tetrahydro-1-benzofuran-5-yl)acetaldehyde
CID 143498737
5-Ethyl-2,3,5,6-tetrahydro-1-benzofuran
CID 167003994

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The IUPAC name of 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone (CID 11137471) is 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone.
What is the SMILES notation for 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The canonical SMILES for 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone is CC(=O)C1C=C2COCC2=CC1.
What is the InChIKey of 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
The InChIKey is IUOMWSXTSMXNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7(11)8-2-3-9-5-12-6-10(9)4-8/h3-4,8H,2,5-6H2,1H3.
What are the key properties of 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone?
1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone has a molecular weight of 164.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5,6-tetrahydro-2-benzofuran-5-yl)ethanone is sourced from PubChem (CID 11137471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).