6-methoxy-1H-benzo[f][2]benzofuran-3-one

C13H10O3 — CID 132515747

IUPAC6-methoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc2cc3c(cc2c1)C(=O)OC3
InChIInChI=1S/C13H10O3/c1-15-11-3-2-8-4-10-7-16-13(14)12(10)6-9(8)5-11/h2-6H,7H2,1H3
InChIKeyRXWFKYWKYKDGIB-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.52
Rot. Bonds1

About 6-methoxy-1H-benzo[f][2]benzofuran-3-one

6-methoxy-1H-benzo[f][2]benzofuran-3-one (PubChem CID 132515747) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-methoxy-1H-benzo[f][2]benzofuran-3-one.

Molecular Properties

Compound Name6-methoxy-1H-benzo[f][2]benzofuran-3-one
PubChem CID132515747
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name6-methoxy-1H-benzo[f][2]benzofuran-3-one
SMILESCOc1ccc2cc3c(cc2c1)C(=O)OC3
InChIInChI=1S/C13H10O3/c1-15-11-3-2-8-4-10-7-16-13(14)12(10)6-9(8)5-11/h2-6H,7H2,1H3
InChIKeyRXWFKYWKYKDGIB-UHFFFAOYSA-N
XLogP2.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1H-benzo[f][2]benzofuran-3-one?
The IUPAC name of 6-methoxy-1H-benzo[f][2]benzofuran-3-one (CID 132515747) is 6-methoxy-1H-benzo[f][2]benzofuran-3-one.
What is the SMILES notation for 6-methoxy-1H-benzo[f][2]benzofuran-3-one?
The canonical SMILES for 6-methoxy-1H-benzo[f][2]benzofuran-3-one is COc1ccc2cc3c(cc2c1)C(=O)OC3.
What is the InChIKey of 6-methoxy-1H-benzo[f][2]benzofuran-3-one?
The InChIKey is RXWFKYWKYKDGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-15-11-3-2-8-4-10-7-16-13(14)12(10)6-9(8)5-11/h2-6H,7H2,1H3.
What are the key properties of 6-methoxy-1H-benzo[f][2]benzofuran-3-one?
6-methoxy-1H-benzo[f][2]benzofuran-3-one has a molecular weight of 214.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1H-benzo[f][2]benzofuran-3-one is sourced from PubChem (CID 132515747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).