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

C13H12O3 — CID 177478961

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one
SMILESO=C1OCC=C1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,4,7H,3,5-6,8H2
InChIKeyQERASCWALULSGC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.65
Rot. Bonds2

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

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one (PubChem CID 177478961) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one
PubChem CID177478961
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one
SMILESO=C1OCC=C1Cc1ccc2c(c1)CCO2
InChIInChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,4,7H,3,5-6,8H2
InChIKeyQERASCWALULSGC-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-yl)-2H-furan-5-one
CID 70061931
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
5-[(2-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141276691
3-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzoic acid
CID 116927154
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohex-3-en-1-one
CID 83261635
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one (CID 177478961) is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one is O=C1OCC=C1Cc1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one?
The InChIKey is QERASCWALULSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-13-11(4-6-16-13)8-9-1-2-12-10(7-9)3-5-15-12/h1-2,4,7H,3,5-6,8H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one?
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-furan-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.65, 2 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-ylmethyl)-2H-furan-5-one is sourced from PubChem (CID 177478961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).