2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran

C13H16O3 — CID 58590252

IUPAC2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran
SMILESCC1Oc2c(OCC3CO3)cccc2C1C
InChIInChI=1S/C13H16O3/c1-8-9(2)16-13-11(8)4-3-5-12(13)15-7-10-6-14-10/h3-5,8-10H,6-7H2,1-2H3
InChIKeyBBQFPSUBCRRICP-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.35
Rot. Bonds3

About 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran

2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran (PubChem CID 58590252) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran
PubChem CID58590252
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran
SMILESCC1Oc2c(OCC3CO3)cccc2C1C
InChIInChI=1S/C13H16O3/c1-8-9(2)16-13-11(8)4-3-5-12(13)15-7-10-6-14-10/h3-5,8-10H,6-7H2,1-2H3
InChIKeyBBQFPSUBCRRICP-UHFFFAOYSA-N
XLogP2.35
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
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-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran?
The IUPAC name of 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran (CID 58590252) is 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran is CC1Oc2c(OCC3CO3)cccc2C1C.
What is the InChIKey of 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran?
The InChIKey is BBQFPSUBCRRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-9(2)16-13-11(8)4-3-5-12(13)15-7-10-6-14-10/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran?
2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran has a molecular weight of 220.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-(oxiran-2-ylmethoxy)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 58590252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).