2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one

C18H14O4 — CID 14484592

IUPAC2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one
SMILESCOC1(Cc2ccccc2)Oc2c(ccc3occc23)C1=O
InChIInChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3
InChIKeyZDPDYRQJYGVUMW-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.59
Rot. Bonds3

About 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one

2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one (PubChem CID 14484592) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one.

Molecular Properties

Compound Name2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one
PubChem CID14484592
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one
SMILESCOC1(Cc2ccccc2)Oc2c(ccc3occc23)C1=O
InChIInChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3
InChIKeyZDPDYRQJYGVUMW-UHFFFAOYSA-N
XLogP3.59
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one?
The IUPAC name of 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one (CID 14484592) is 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one.
What is the SMILES notation for 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one?
The canonical SMILES for 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one is COC1(Cc2ccccc2)Oc2c(ccc3occc23)C1=O.
What is the InChIKey of 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one?
The InChIKey is ZDPDYRQJYGVUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-20-18(11-12-5-3-2-4-6-12)17(19)14-7-8-15-13(9-10-21-15)16(14)22-18/h2-10H,11H2,1H3.
What are the key properties of 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one?
2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one has a molecular weight of 294.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-methoxyfuro[2,3-e][1]benzofuran-3-one is sourced from PubChem (CID 14484592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).