5-(oxan-2-yloxy)-1-benzofuran

C13H14O3 — CID 67340749

IUPAC5-(oxan-2-yloxy)-1-benzofuran
SMILESc1cc2cc(OC3CCCCO3)ccc2o1
InChIInChI=1S/C13H14O3/c1-2-7-15-13(3-1)16-11-4-5-12-10(9-11)6-8-14-12/h4-6,8-9,13H,1-3,7H2
InChIKeyJJIUIUXFKKDWFS-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.34
Rot. Bonds2

About 5-(oxan-2-yloxy)-1-benzofuran

5-(oxan-2-yloxy)-1-benzofuran (PubChem CID 67340749) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)-1-benzofuran.

Molecular Properties

Compound Name5-(oxan-2-yloxy)-1-benzofuran
PubChem CID67340749
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name5-(oxan-2-yloxy)-1-benzofuran
SMILESc1cc2cc(OC3CCCCO3)ccc2o1
InChIInChI=1S/C13H14O3/c1-2-7-15-13(3-1)16-11-4-5-12-10(9-11)6-8-14-12/h4-6,8-9,13H,1-3,7H2
InChIKeyJJIUIUXFKKDWFS-UHFFFAOYSA-N
XLogP3.34
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)oxane
CID 10987441
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-(3-bromophenoxy)oxane
CID 5067264
(1R,5S)-3-(1-benzofuran-5-yloxy)-9-azabicyclo[3.3.1]nonane
CID 58878551
3-iodo-7-(oxan-2-yloxy)chromen-4-one
CID 16756484
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
2-(4-methoxyphenoxy)oxolane
CID 135060561
4-(oxan-2-yloxy)benzoic acid
CID 11183645
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yloxy)-1-benzofuran?
The IUPAC name of 5-(oxan-2-yloxy)-1-benzofuran (CID 67340749) is 5-(oxan-2-yloxy)-1-benzofuran.
What is the SMILES notation for 5-(oxan-2-yloxy)-1-benzofuran?
The canonical SMILES for 5-(oxan-2-yloxy)-1-benzofuran is c1cc2cc(OC3CCCCO3)ccc2o1.
What is the InChIKey of 5-(oxan-2-yloxy)-1-benzofuran?
The InChIKey is JJIUIUXFKKDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-7-15-13(3-1)16-11-4-5-12-10(9-11)6-8-14-12/h4-6,8-9,13H,1-3,7H2.
What are the key properties of 5-(oxan-2-yloxy)-1-benzofuran?
5-(oxan-2-yloxy)-1-benzofuran has a molecular weight of 218.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)-1-benzofuran is sourced from PubChem (CID 67340749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).