5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran

C11H12O2 — CID 104545326

IUPAC5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
SMILESc1cc2c(cc1CC1CO1)CCO2
InChIInChI=1S/C11H12O2/c1-2-11-9(3-4-12-11)5-8(1)6-10-7-13-10/h1-2,5,10H,3-4,6-7H2
InChIKeyHEIGCLNYBNHDOF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds2

About 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran

5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran (PubChem CID 104545326) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
PubChem CID104545326
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
SMILESc1cc2c(cc1CC1CO1)CCO2
InChIInChI=1S/C11H12O2/c1-2-11-9(3-4-12-11)5-8(1)6-10-7-13-10/h1-2,5,10H,3-4,6-7H2
InChIKeyHEIGCLNYBNHDOF-UHFFFAOYSA-N
XLogP1.56
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
CID 116927075
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
(2S)-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(4-fluorophenyl)methyl]morpholine
CID 29001171
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208

Frequently Asked Questions

What is the IUPAC name of 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran (CID 104545326) is 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran is c1cc2c(cc1CC1CO1)CCO2.
What is the InChIKey of 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is HEIGCLNYBNHDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-11-9(3-4-12-11)5-8(1)6-10-7-13-10/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran?
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 176.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 104545326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).