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

C13H10O3 — CID 12869115

IUPAC4-methoxy-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1c2c(cc3ccccc13)C(=O)OC2
InChIInChI=1S/C13H10O3/c1-15-12-9-5-3-2-4-8(9)6-10-11(12)7-16-13(10)14/h2-6H,7H2,1H3
InChIKeyOTQWNVRTVZBTEZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.52
Rot. Bonds1

About 4-methoxy-3H-benzo[f][2]benzofuran-1-one

4-methoxy-3H-benzo[f][2]benzofuran-1-one (PubChem CID 12869115) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-methoxy-3H-benzo[f][2]benzofuran-1-one.

Molecular Properties

Compound Name4-methoxy-3H-benzo[f][2]benzofuran-1-one
PubChem CID12869115
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name4-methoxy-3H-benzo[f][2]benzofuran-1-one
SMILESCOc1c2c(cc3ccccc13)C(=O)OC2
InChIInChI=1S/C13H10O3/c1-15-12-9-5-3-2-4-8(9)6-10-11(12)7-16-13(10)14/h2-6H,7H2,1H3
InChIKeyOTQWNVRTVZBTEZ-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 4-methoxy-3H-benzo[f][2]benzofuran-1-one?
The IUPAC name of 4-methoxy-3H-benzo[f][2]benzofuran-1-one (CID 12869115) is 4-methoxy-3H-benzo[f][2]benzofuran-1-one.
What is the SMILES notation for 4-methoxy-3H-benzo[f][2]benzofuran-1-one?
The canonical SMILES for 4-methoxy-3H-benzo[f][2]benzofuran-1-one is COc1c2c(cc3ccccc13)C(=O)OC2.
What is the InChIKey of 4-methoxy-3H-benzo[f][2]benzofuran-1-one?
The InChIKey is OTQWNVRTVZBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c1-15-12-9-5-3-2-4-8(9)6-10-11(12)7-16-13(10)14/h2-6H,7H2,1H3.
What are the key properties of 4-methoxy-3H-benzo[f][2]benzofuran-1-one?
4-methoxy-3H-benzo[f][2]benzofuran-1-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 4-methoxy-3H-benzo[f][2]benzofuran-1-one is sourced from PubChem (CID 12869115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).