6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one

C9H10O3 — CID 162821559

IUPAC6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one
SMILESCOC1C=CC2=CC(=O)OC2C1
InChIInChI=1S/C9H10O3/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-4,7-8H,5H2,1H3
InChIKeyZNGZXLVMNCCHAT-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.81
Rot. Bonds1

About 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one

6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one (PubChem CID 162821559) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one.

Molecular Properties

Compound Name6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one
PubChem CID162821559
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one
SMILESCOC1C=CC2=CC(=O)OC2C1
InChIInChI=1S/C9H10O3/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-4,7-8H,5H2,1H3
InChIKeyZNGZXLVMNCCHAT-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 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The IUPAC name of 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one (CID 162821559) is 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one.
What is the SMILES notation for 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The canonical SMILES for 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one is COC1C=CC2=CC(=O)OC2C1.
What is the InChIKey of 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one?
The InChIKey is ZNGZXLVMNCCHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-11-7-3-2-6-4-9(10)12-8(6)5-7/h2-4,7-8H,5H2,1H3.
What are the key properties of 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one?
6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-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 6-methoxy-7,7a-dihydro-6H-1-benzofuran-2-one is sourced from PubChem (CID 162821559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).