2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol

C11H12O3 — CID 141406092

IUPAC2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
SMILESOC(c1cccc2c1CCO2)C1CO1
InChIInChI=1S/C11H12O3/c12-11(10-6-14-10)8-2-1-3-9-7(8)4-5-13-9/h1-3,10-12H,4-6H2
InChIKeyCJZVTQZYACCUHT-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.05
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol

2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol (PubChem CID 141406092) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
PubChem CID141406092
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
SMILESOC(c1cccc2c1CCO2)C1CO1
InChIInChI=1S/C11H12O3/c12-11(10-6-14-10)8-2-1-3-9-7(8)4-5-13-9/h1-3,10-12H,4-6H2
InChIKeyCJZVTQZYACCUHT-UHFFFAOYSA-N
XLogP1.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol (CID 141406092) is 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol is OC(c1cccc2c1CCO2)C1CO1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol?
The InChIKey is CJZVTQZYACCUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(10-6-14-10)8-2-1-3-9-7(8)4-5-13-9/h1-3,10-12H,4-6H2.
What are the key properties of 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol?
2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol has a molecular weight of 192.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol is sourced from PubChem (CID 141406092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).