7a-methoxy-2,3-dihydro-1-benzofuran-5-one

C9H10O3 — CID 130031998

IUPAC7a-methoxy-2,3-dihydro-1-benzofuran-5-one
SMILESCOC12C=CC(=O)C=C1CCO2
InChIInChI=1S/C9H10O3/c1-11-9-4-2-8(10)6-7(9)3-5-12-9/h2,4,6H,3,5H2,1H3
InChIKeyYMTYHELNXZGGJW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.81
Rot. Bonds1

About 7a-methoxy-2,3-dihydro-1-benzofuran-5-one

7a-methoxy-2,3-dihydro-1-benzofuran-5-one (PubChem CID 130031998) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 7a-methoxy-2,3-dihydro-1-benzofuran-5-one.

Molecular Properties

Compound Name7a-methoxy-2,3-dihydro-1-benzofuran-5-one
PubChem CID130031998
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name7a-methoxy-2,3-dihydro-1-benzofuran-5-one
SMILESCOC12C=CC(=O)C=C1CCO2
InChIInChI=1S/C9H10O3/c1-11-9-4-2-8(10)6-7(9)3-5-12-9/h2,4,6H,3,5H2,1H3
InChIKeyYMTYHELNXZGGJW-UHFFFAOYSA-N
XLogP0.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methoxy-2,3-dihydro-1-benzofuran-5-one?
The IUPAC name of 7a-methoxy-2,3-dihydro-1-benzofuran-5-one (CID 130031998) is 7a-methoxy-2,3-dihydro-1-benzofuran-5-one.
What is the SMILES notation for 7a-methoxy-2,3-dihydro-1-benzofuran-5-one?
The canonical SMILES for 7a-methoxy-2,3-dihydro-1-benzofuran-5-one is COC12C=CC(=O)C=C1CCO2.
What is the InChIKey of 7a-methoxy-2,3-dihydro-1-benzofuran-5-one?
The InChIKey is YMTYHELNXZGGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-11-9-4-2-8(10)6-7(9)3-5-12-9/h2,4,6H,3,5H2,1H3.
What are the key properties of 7a-methoxy-2,3-dihydro-1-benzofuran-5-one?
7a-methoxy-2,3-dihydro-1-benzofuran-5-one has a molecular weight of 166.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methoxy-2,3-dihydro-1-benzofuran-5-one is sourced from PubChem (CID 130031998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).