2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone

C16H16O2 — CID 113453266

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16O2/c1-11-15(7-8-18-11)16(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3
InChIKeyLLLJUNSIIMBPJK-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.50
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone (PubChem CID 113453266) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
PubChem CID113453266
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone
SMILESCc1occc1C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H16O2/c1-11-15(7-8-18-11)16(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3
InChIKeyLLLJUNSIIMBPJK-UHFFFAOYSA-N
XLogP3.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-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-(2-methylfuran-3-yl)-2-(3,4,5-trimethylphenyl)ethanone
CID 165037086
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105103740
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
1-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974430
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylcyclopropyl)ethanone
CID 65420155
1-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethanone
CID 62035275
1-(2-methylfuran-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 104789347
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone (CID 113453266) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone is Cc1occc1C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone?
The InChIKey is LLLJUNSIIMBPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-15(7-8-18-11)16(17)10-12-5-6-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone has a molecular weight of 240.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylfuran-3-yl)ethanone is sourced from PubChem (CID 113453266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).