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

C14H12O3 — CID 114819434

IUPAC2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CCO3)co1
InChIInChI=1S/C14H12O3/c1-9-6-12(8-17-9)14(15)11-2-3-13-10(7-11)4-5-16-13/h2-3,6-8H,4-5H2,1H3
InChIKeyGOKOQMJATIHNLN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone (PubChem CID 114819434) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
PubChem CID114819434
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc3c(c2)CCO3)co1
InChIInChI=1S/C14H12O3/c1-9-6-12(8-17-9)14(15)11-2-3-13-10(7-11)4-5-16-13/h2-3,6-8H,4-5H2,1H3
InChIKeyGOKOQMJATIHNLN-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanone
CID 114819642
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone (CID 114819434) is 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)c2ccc3c(c2)CCO3)co1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone?
The InChIKey is GOKOQMJATIHNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-6-12(8-17-9)14(15)11-2-3-13-10(7-11)4-5-16-13/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone has a molecular weight of 228.25 g/mol, XLogP of 2.75, 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-5-yl-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114819434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).