2-(2,3-dihydro-1-benzofuran-5-yl)acetate

C10H9O3- — CID 7130264

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESO=C([O-])Cc1ccc2c(c1)CCO2
InChIInChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)/p-1
InChIKeyLALSYIKKTXUSLG-UHFFFAOYSA-M
MW177.18 g/mol
LogP-0.09
Rot. Bonds2

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

2-(2,3-dihydro-1-benzofuran-5-yl)acetate (PubChem CID 7130264) has the molecular formula C10H9O3- and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)acetate.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)acetate
PubChem CID7130264
Molecular FormulaC10H9O3-
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)acetate
SMILESO=C([O-])Cc1ccc2c(c1)CCO2
InChIInChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)/p-1
InChIKeyLALSYIKKTXUSLG-UHFFFAOYSA-M
XLogP-0.09
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate
CID 7443094
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 51311006
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200149
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806404
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-fluorophenyl)acetamide
CID 51309459

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)acetate (CID 7130264) is 2-(2,3-dihydro-1-benzofuran-5-yl)acetate.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)acetate is O=C([O-])Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
The InChIKey is LALSYIKKTXUSLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)/p-1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)acetate?
2-(2,3-dihydro-1-benzofuran-5-yl)acetate has a molecular weight of 177.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)acetate is sourced from PubChem (CID 7130264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).