4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one

C12H10O3 — CID 70061931

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
SMILESO=C1OCC=C1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H10O3/c13-12-10(4-6-15-12)8-1-2-11-9(7-8)3-5-14-11/h1-2,4,7H,3,5-6H2
InChIKeyRATGFOLYQMTHCL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.56
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one

4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one (PubChem CID 70061931) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
PubChem CID70061931
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
SMILESO=C1OCC=C1c1ccc2c(c1)CCO2
InChIInChI=1S/C12H10O3/c13-12-10(4-6-15-12)8-1-2-11-9(7-8)3-5-14-11/h1-2,4,7H,3,5-6H2
InChIKeyRATGFOLYQMTHCL-UHFFFAOYSA-N
XLogP1.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one
CID 177478961
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
2-(2,3-dihydro-1-benzofuran-6-yl)cyclohex-2-en-1-one
CID 172782601
2-chloro-5-(2,3-dihydro-1-benzofuran-5-yl)benzaldehyde
CID 114076490
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
4-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylaniline
CID 81287575
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)benzoate
CID 4131960

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one (CID 70061931) is 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one is O=C1OCC=C1c1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one?
The InChIKey is RATGFOLYQMTHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-12-10(4-6-15-12)8-1-2-11-9(7-8)3-5-14-11/h1-2,4,7H,3,5-6H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one has a molecular weight of 202.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one is sourced from PubChem (CID 70061931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).