2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone

C13H12O3 — CID 102651090

IUPAC2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1COc2ccccc21
InChIInChI=1S/C13H12O3/c14-13(12-6-3-7-15-12)10-8-16-11-5-2-1-4-9(10)11/h1-2,4-6,10H,3,7-8H2
InChIKeyGEGJZPSNQGSBMH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.04
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone

2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone (PubChem CID 102651090) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
PubChem CID102651090
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone
SMILESO=C(C1=CCCO1)C1COc2ccccc21
InChIInChI=1S/C13H12O3/c14-13(12-6-3-7-15-12)10-8-16-11-5-2-1-4-9(10)11/h1-2,4-6,10H,3,7-8H2
InChIKeyGEGJZPSNQGSBMH-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
2,3-dihydro-1-benzofuran-3-yl-(3-propylphenyl)methanone
CID 116543458
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
2,3-dihydro-1-benzofuran-3-yl-(1-ethylimidazol-4-yl)methanone
CID 114272629
methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
CID 82886046
2,3-dihydrofuran-5-yl(1,4-dioxan-2-yl)methanone
CID 102652763
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone (CID 102651090) is 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone is O=C(C1=CCCO1)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone?
The InChIKey is GEGJZPSNQGSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13(12-6-3-7-15-12)10-8-16-11-5-2-1-4-9(10)11/h1-2,4-6,10H,3,7-8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone?
2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl(2,3-dihydrofuran-5-yl)methanone is sourced from PubChem (CID 102651090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).